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3766-55-0

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Basic Information
CAS No.: 3766-55-0
Name: 4-ALLYLTHIOSEMICARBAZIDE
Article Data: 20
Molecular Structure:
Molecular Structure of 3766-55-0 (4-ALLYLTHIOSEMICARBAZIDE)
Formula: C4H9 N3 S
Molecular Weight: 131.202
Synonyms: Hydrazinecarbothioamide,N-2-propenyl- (9CI); Semicarbazide, 4-allyl-3-thio- (6CI,7CI,8CI);4-(2-Propenyl)hydrazinethiocarbamide; 4-Allyl-3-thiosemicarbazide;4-Allylthiosemicarbazide; Allylthiosemicarbazide;N-(2-Propenyl)hydrazinecarbothioamide; N-Allylthiosemicarbazide; NSC 75830
Density: 1.131g/cm3
Melting Point: 93-96 °C(lit.)
Boiling Point: 209.8°Cat760mmHg
Flash Point: 80.7°C
Appearance: WHITE TO LIGHT YELLOW CRYSTALLINE POWDER
Risk Codes: 25-36/37/38
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also ALLYL COMPOUNDS.
PSA: 82.17000
LogP: 0.99230
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Chemistry

Product Name: 4-Allylthiosemicarbazide (CAS NO.3766-55-0)


Molecular Formula: C4H9N3S
Molecular Weight: 131.2g/mol
Mol File: 3766-55-0.mol
EINECS: 223-186-7
Melting Point: 93-96 °C(lit.)
Boiling point: 209.8 °C at 760 mmHg
Flash Point: 80.7 °C
Density: 1.131 g/cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 44.61 kJ/mol
Vapour Pressure: 0.199 mmHg at 25°C
XLogP3-AA: -0.1
H-Bond Donor: 3
H-Bond Acceptor: 1
Structure Descriptors of 4-Allylthiosemicarbazide (CAS NO.3766-55-0):
  IUPAC Name: 1-Amino-3-prop-2-enylthiourea
  Canonical SMILES: C=CCNC(=S)NN
  InChI: InChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8) 
  InChIKey: CZLPCLANGIXFIE-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00434,

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also ALLYL COMPOUNDS.
Safety Information of 4-Allylthiosemicarbazide (CAS NO.3766-55-0):
Risk Statements: 25-36/37/38 
25:  Toxic if swallowed
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 24/25
24:  Avoid contact with skin 
25:  Avoid contact with eyes
RIDADR: 2811
WGK Germany: 3
RTECS: VT3000000

Specification

 4-Allylthiosemicarbazide , its CAS NO. is 3766-55-0, the synonyms are 4-04-00-01074 (Beilstein Handbook Reference) ; 4-Allyl-3-thiosemicarbazide ; Allylthiosemicarbazide ; Allythiosemicarbazide ; BRN 1751645 ; EINECS 223-186-7 ; N-Allylthiosemicarbazide ; NSC 75830 ; Hydrazinecarbothioamide, N-2-propenyl- (9CI) ; Semicarbazide, 4-allyl-3-thio- .