Carbanilic acid, p-methoxy-, 2-mercaptoethyl ester
Basic information
- CAS
73623-20-8- Standard SMILES
COc1ccc(NC(=O)OCCS)cc1- InChIKey
QSHSRRYNHQWTRZ-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.06161445
Names & identifiers
- Preferred name
- Carbanilic acid, p-methoxy-, 2-mercaptoethyl ester
- IUPAC
- 2-sulfanylethyl N-(4-methoxyphenyl)carbamate
- English name
- p-Methoxycarbanilic acid 2-mercaptoethyl ester
- Molecular formula
- C10H13NO3S
- Molecular weight
- 227.28
Names & synonyms
p-Methoxycarbanilic acid 2-mercaptoethyl ester2-Mercaptoethyl p-methoxycarbanilateCARBANILIC ACID, p-METHOXY-, 2-MERCAPTOETHYL ESTERBRN 328863173623-20-8DTXSID102238294-13-00-01134 (Beilstein Handbook Reference)RefChem:333183DTXCID901463202-Sulfanylethyl (4-methoxyphenyl)carbamateCarbamic acid, (4-methoxyphenyl)-, 2-mercaptoethyl ester (9CI)
Database identifiers
- CAS
73623-20-8- PubChem CID
- 51908
- DTXSID
DTXSID10223829- Nikkaji
- J69.451G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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