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Name |
Carbamimidothioic acid,2-propen-1-yl ester, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 2547-92-4 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H9ClN2S | Boiling Point | 171.8 °C at 760 mmHg |
Molecular Weight | 152.648 | Flash Point | 57.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 3 |
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