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Name	5-Amino-2-benzimidazolethiol	EINECS	220-574-8
CAS No.	2818-66-8	Density	1.48 g/cm³
PSA	93.50000	LogP	2.01500
Solubility	N/A	Melting Point	240-244 °C(lit.)
Formula	C₇H₇N₃S	Boiling Point	356.8 °C at 760 mmHg
Molecular Weight	165.219	Flash Point	169.6 °C
Transport Information	N/A	Appearance	off-white to light yellow crystalline powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2-Benzimidazolethiol,5(or 6)-amino- (6CI,7CI);2-Benzimidazolethiol, 5-amino- (8CI);5-Amino-2-benzimidazolethiol;5-Amino-2-mercaptobenzimidazole;6-Amino-2-mercaptobenzimidazole;NSC 3984;	Article Data	9

5-Amino-2-benzimidazolethiol Synthetic route

: 6325-91-3
5-nitro-2-mercaptobenzimidazole

: 2818-66-8
5-amino-2-mercaptobenzimidazole

Conditions

Conditions	Yield
With hydrogenchloride; iron In ethanol; water	80%
With hydrogenchloride; iron In ethanol; water	80%
Stage #1: 5-nitro-2-mercaptobenzimidazole With hydrogenchloride; zinc In methanol; water at 20℃; for 0.5 - 2h; Stage #2: With potassium carbonate In methanol; water for 1h; pH=9 - 10; Product distribution / selectivity; Heating / reflux;	65%

: 1146953-82-3
hexakis[(4-formyl-2-methoxy)phenoxy]cyclotriphosphazene

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: hexa[2-methoxy-4-(2-mercapto-benzimidazol-5-yl-iminomethyl)phenoxy]cyclotriphosphazene

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h;	100%

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 68-11-1
mercaptoacetic acid

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 3-(2-mercapto-1H-benzo[d]imidazol-5-yl)-2-(4-(trifluromethyl)phenyl)thiazolidin-4-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 24h; Reagent/catalyst; Solvent; Reflux;	98%

: 2-(naphthalene-2-sulfonyloxy)-benzaldehyde

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 2-[(2-sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]phenyl naphthalene-2-sulfonate

Conditions

Conditions	Yield
With acetic acid for 2h; Reflux;	98%

: 68-11-1
mercaptoacetic acid

: 105-07-7
4-cyanobenzaldehyde

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 4-(3-(2-mercapto-1H-benzo[d]imidazol-5-yl)-4-oxothiazolidin-2-yl)benzonitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 24h; Reflux;	96%

: 68-11-1
mercaptoacetic acid

: 552-89-6
2-nitro-benzaldehyde

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 3-(2-mercapto-1H-benzo[d]imidazol-5-yl)-2-(2-nitrophenyl)thiazolidin-4-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 24h; Reflux;	93%

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 5071-61-4
5-phenyl-1H-pyrazole-3-carboxylic acid

: N-(2-mercaptobenzimidazol-5-yl)-5-phenyl-3-pyrazole carboxamide

Conditions

Conditions	Yield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine In N,N-dimethyl-formamide for 4 - 10h; Reflux; Inert atmosphere;	92%

: 99-61-6
3-nitro-benzaldehyde

: 68-11-1
mercaptoacetic acid

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 3-(2-mercapto-1H-benzo[d]imidazol-5-yl)-2-(3-nitrophenyl)thiazolidin-4-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 24h; Reflux;	91%

: 1443380-69-5
hexa(4-bromo-2-formylphenoxy)cyclotriphosphazene

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: hexa[4-bromo-2-(2-mercapto-benzimidazol-5-yliminomethyl)phenoxy]cyclotriphosphazene

Conditions

Conditions	Yield
With formic acid In tetrahydrofuran at 20℃; for 24h;	90.2%

: 621-59-0
isovanillin

: 4971-56-6
tetrahydrofuran-2,4-dione

: 2818-66-8
5-amino-2-mercaptobenzimidazole

: 10-(3-hydroxy-4-methoxyphenyl)-2-sulfanyl-6,7,9,10-tetrahydro-1H-furo[3,4-b]imidazo[4,5-f]quinolin-9-one

Conditions

Conditions	Yield
In ethanol for 1h; Reflux;	90%

5-Amino-2-benzimidazolethiol Chemical Properties

Molecular Formula: C₇H₇N₃S

Formula Weight: 165.22
mp : 240-244 ^°C(lit.)
Index of Refraction: 1.794
Flash Point: 169.6 ^°C
Boiling Point: 356.8 ^°C at 760 mmHg
Density of 5-Amino-2-benzimidazolethiol (2818-66-8): 1.48 g/cm³
Vapour Pressure: 2.85E-05 mmHg at 25^°C
Physical State of 5-Amino-2-benzimidazolethiol (2818-66-8): Crystalline powder
Color of 5-Amino-2-benzimidazolethiol (2818-66-8): off-white to light yellow

5-Amino-2-benzimidazolethiol Toxicity Data With Reference

Harmful by inhalation, in contact with skin and if swallowed.
LD₅₀/LC₅₀: Not available.
Carcinogenicity: 5-Amino-2-benzimidazolethiol (2818-66-8) - Not listed by ACGIH, IARC, or NTP.

5-Amino-2-benzimidazolethiol Safety Profile

Safety: IRRITA
Hazard Codes : Xi (Irritant)
Risk Statements : 36/37/38 (Irritating to eyes, respiratory system and skin)
Safety Statements : 26-36 (In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Wear suitable protective clothing)
WGK Germany : 3

5-Amino-2-benzimidazolethiol Specification

Storage: Store in a tightly closed container. Store in a cool, dry place.
Handling: Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Keep container tightly closed. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Use with adequate ventilation. Wash clothing before reuse.

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