Basic information
- CAS
3778-85-6- Standard SMILES
Cl.N=C(N)SCc1ccccc1Cl- InChIKey
CEICVYXCGHTEIT-UHFFFAOYSA-N- Molecular formula
- C8H10Cl2N2S
- Average molar mass
- 237.15 g/mol
- Monoisotopic mass
- 235.9941749
Names & identifiers
- Preferred name
- Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochloride
- IUPAC
- (2-chlorophenyl)methyl carbamimidothioate;hydrochloride
- English name
- {Amino[(2-chlorobenzyl)thio!methylidene}ammonium chloride, 97
- Molecular formula
- C8H10Cl2N2S
- Molecular weight
- 237.14
Names & synonyms
3778-85-6Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochlorideNSC-600419X9QY6D7C5DTXSID00191225RefChem:1097117DTXCID101137162-Chlorobenzyl carbamimidothioate hydrochloride2-chlorobenzyl imidothiocarbamate hydrochloride(2-chlorophenyl)methyl carbamimidothioate;hydrochloride2-(2-Chlorobenzyl)-2-thiopseudourea hydrochlorideMFCD00035046
Show more names
Pimavanserin Impurity 26Acenocoumarol Impurity 13CEICVYXCGHTEIT-UHFFFAOYSA-N2-(2-chlorobenzyl)-2-thio-pseudourehydrochloride{Amino[(2-chlorobenzyl)thio]methylidene}ammonium chloride{Amino[(2-chlorobenzyl)thio!methylidene}ammonium chloride, 97
CHEMBL1224310NSC 600412-chlorophenylmethyl carbamimidothioate hydrochlorideCarbamimidothioic acid, (2-chlorophenyl)methyl ester, monohydrochlorideMLS000698043WLN: MUYZS1R BG &GHNSC60041EBC-00552
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
0 records
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Compound notes
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