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(S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride

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Name

(S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride

EINECS 618-106-6
CAS No. 88046-01-9 Density N/A
PSA 178.20000 LogP 3.05020
Solubility N/A Melting Point N/A
Formula C6H10N6S2.2(HCl) Boiling Point 487.3 °C at 760 mmHg
Molecular Weight 303.23 Flash Point 248.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 88046-01-9 ((S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride) Hazard Symbols N/A
Synonyms

S-[(2-Guanidino-4-thiazolyl)methyl]isothiourea dihydrochloride;N-[4-(Aminoiminomethyl)Thiomethyl-2-Thiazolyl]Guanidine Dihydrochloride;N"-[4-(Aminoiminomethyl)thiomethyl-2-thiazolyl]guanidine2HCl;Carbamimidothioic acid(2-aminoiminomethyl)amino)-4-Thiazolyl)methyl ester;Carbamimidothioic acid [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester dihydrochloride;N-(4-(((AMINOIMINOMETHYL)THIO)METHYL)-2-THIAZOLYL)GUANIDINE;S-[(2-Guanidino-4-thiazolyl)methyl]isothiourea 2HCl

 

(S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride Chemical Properties

Systematic Name: {2-[(Diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl carbamimidothioate dihydrochloride 
Synonyms of (S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride (CAS NO.88046-01-9): Carbamimidothioic acid [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester dihydrochloride 
CAS NO: 88046-01-9
Molecular Formula: C6H10N6S2.2(HCl)
Molecular Weight: 303.23  
Molecular Structure:
H bond acceptors:  6 
H bond donors:  7 
Freely Rotating Bonds:  4 
Polar Surface Area:  100.87 Å2 
Flash Point:  248.5 °C 
Enthalpy of Vaporization:  75.32 kJ/mol 
Boiling Point:  487.3 °C at 760 mmHg 
Vapour Pressure:  1.2E-09 mmHg at 25°C 
SMILES: Cl.Cl.N(=C(/N)N)\c1nc(cs1)CSC(=[N@H])N 
InChI: InChI=1/C6H10N6S2.2ClH/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10;;/h2H,1H2,(H3,9,10)(H4,7,8,11,12);2*1H
InChIKey: FTKAAVQOOXXUGW-UHFFFAOYAI 
Std. InChI: InChI=1S/C6H10N6S2.2ClH/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10;;/h2H,1H2,(H3,9,10)(H4,7,8,11,12);2*1H
Std. InChIKey: FTKAAVQOOXXUGW-UHFFFAOYSA-N

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