Basic information
- CAS
14122-38-4- Standard SMILES
N=C(N)SCc1ccccc1Cl- InChIKey
SFKYKNIIEFCNBX-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2S
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.0174972
Overview
Carbamimidothioic acid (2-chlorophenyl)methyl ester is an organochlorine compound.
Names & identifiers
- Preferred name
- 2-Chlorobenzyl Carbamimidothioate
- IUPAC
- (2-chlorophenyl)methyl carbamimidothioate
- English name
- 2-Chlorobenzyl carbamimidothioate hydrochloride
- Molecular formula
- C8H9ClN2S
- Molecular weight
- 200.69
Names & synonyms
2-Chlorobenzyl Carbamimidothioate14122-38-4(2-chlorophenyl)methyl carbamimidothioate2-chlorobenzyl imidothiocarbamateCHEMBL1229095carbamimidothioic acid, (2-chlorophenyl)methyl ester, hydrochlorideCHEMBL1224310Maybridge1_006947V2BL3DVA7L{[(2-chlorophenyl)methyl]sulfanyl}methanimidamideSulconazole Nitrate Impurity 8cid_199161
Show more names
2-Chlorobenzyl carbamimidothioate hydrochlorideCarbamimidothioic acid, (2-chlorophenyl)methyl ester
SCHEMBL13007579CHEBI:103897ALBB-023120BDBM50325537EBC-01040AKOS003333450NCGC00247188-01[(2-chlorophenyl)methyl]thiocarboxamidine
Database identifiers
- CAS
14122-38-4- PubChem CID
- 199162
- ChEMBL
CHEMBL1224310、CHEMBL1229095- ChEBI
CHEBI:103897
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 315.9 · 315.9±44.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.40(Predicted)
- FDA UNII
- 2 BL3DVA7L · V2BL3DVA7L
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Carbamimidothioic acid (2-chlorophenyl)methyl ester is an organochlorine compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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