Basic information
- CAS
20166-91-0- Standard SMILES
N=C(N)SCc1csc(N)n1- InChIKey
ZJOZQGURSDEMQX-UHFFFAOYSA-N- Molecular formula
- C5H8N4S2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.01903862
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Agr 307
- IUPAC
- (2-amino-1,3-thiazol-4-yl)methyl carbamimidothioate
- English name
- (2-Amino-1,3-thiazol-4-yl)methyl carbamimidothioate(WXG01086)
- Molecular formula
- C5H8N4S2
- Molecular weight
- 188.27
Names & synonyms
20166-91-0AGR 307RefChem:1102032-amino-(isothioureyl methylene)-4-thiazole dihydrochloride(2-amino-1,3-thiazol-4-yl)methyl carbamimidothioate(2-Aminothiazol-4-yl)methyl carbamimidothioateNSC83548Carbamimidothioic acid, (2-amino-4-thiazolyl)methyl ester2-Amino-(isothioureyl methylene)-4-thiazole(2-Amino-4-thiazolyl)methyl carbamimidothioateTimTec1_000923Pseudourea, 2-((2-amino-4-thiazolyl)methyl)-2-thio-
Show more names
(2-Amino-1,3-thiazol-4-yl)methyl carbamimidothioate(WXG01086)
SCHEMBL5317394DTXSID10942220AKOS00622784120167-22-0 pound 2HCl pound(c)NCGC00174978-012-(2-aminothiazol-4-ylmethyl)isothiourea2-(2-Amino-thiazol-4-ylmethyl)-isothiourea2-[(2-aminothiazol-4-yl)methyl]isothiourea
Database identifiers
- CAS
20166-91-0- PubChem CID
- 73233
- DTXSID
DTXSID10942220
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 396.3 · 396.3±44.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.40(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
2 records
Compound notes
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