Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1) supplier

Name
prop-2-en-1-yl carbamimidothioate hydrochloride (1:1)
EINECS
CAS No. 2547-92-4
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₄H₉ClN₂S
Boiling Point 171.8 °C at 760 mmHg
Molecular Weight 152.648
Flash Point 57.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamimidothioicacid, 2-propenyl ester, monohydrochloride (9CI);Pseudourea, 2-allyl-2-thio-,hydrochloride (7CI);Pseudourea, 2-allyl-2-thio-, monohydrochloride (8CI);Allylisothiourea hydrochloride;Allylisothiuronium chloride;S-Allylthiuronium chloride;S-Allylisothiuronium chloride;S-Allylisothioureahydrochloride;
PSA
LogP

Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1) Specification

The Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1), with the CAS registry number 2547-92-4, is also known as Carbamimidothioic acid, 2-propenyl ester, monohydrochloride. This chemical's molecular formula is C₄H₉ClN₂S and molecular weight is 152.6. What's more, its systematic name is called Allyl carbamimidothioate hydrochloride (1:1).

Physical properties about Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -0.80; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12) Polar Surface Area: 40.9 Å²; (13)Flash Point: 57.7 °C; (14)Enthalpy of Vaporization: 40.82 kJ/mol; (15)Boiling Point: 171.8 °C at 760 mmHg; (16)Vapour Pressure: 1.37 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.[N@H]=C(SC\C=C)N
(2) InChI: InChI=1S/C4H8N2S.ClH/c1-2-3-7-4(5)6;/h2H,1,3H2,(H3,5,6);1H
(3) InChIKey: FOPNKOONSKRMAQ-UHFFFAOYSA-N

Product Name

prop-2-en-1-yl carbamimidothioate hydrochloride (1:1)

Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1) Specification

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