Completing data — usually done within a minute
Basic information
- CAS
118364-67-3- Standard SMILES
COC(=O)Nc1ccc(S)cc1- InChIKey
KKAZSKYYJGSNCZ-UHFFFAOYSA-N- Molecular formula
- C8H9NO2S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.03539953
Names & identifiers
- Preferred name
- Carbamic acid, (4-mercaptophenyl)-, methyl ester
- IUPAC
- methyl N-(4-sulfanylphenyl)carbamate
Names & synonyms
Carbamic acid, (4-mercaptophenyl)-, methyl ester118364-67-3DTXSID10345257RefChem:332128DTXCID10296331methyl n-(4-mercaptophenyl)carbamateSCHEMBL7544607Methyl (4-sulfanylphenyl)carbamateMethyl 4-sulfanylphenylcarbamate #Carbamic acid, N-(4-mercaptophenyl)-, methyl ester
Database identifiers
- CAS
118364-67-3- PubChem CID
- 603048
- DTXSID
DTXSID10345257- Nikkaji
- J614.046G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
3 records
Compound notes
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