S-methyl N-(3-hydroxyphenyl)carbamothioate

C8H9NO2S — CID 29878

IUPACS-methyl N-(3-hydroxyphenyl)carbamothioate
SMILESCSC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKeyFZMQIVKTRXXFDS-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.29
Rot. Bonds1

About S-methyl N-(3-hydroxyphenyl)carbamothioate

S-methyl N-(3-hydroxyphenyl)carbamothioate (PubChem CID 29878) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is S-methyl N-(3-hydroxyphenyl)carbamothioate.

Molecular Properties

Compound NameS-methyl N-(3-hydroxyphenyl)carbamothioate
PubChem CID29878
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC NameS-methyl N-(3-hydroxyphenyl)carbamothioate
SMILESCSC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKeyFZMQIVKTRXXFDS-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-methyl N-(3-hydroxyphenyl)carbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetaminophen
CID 1983
3-Hydroxyacetanilide
CID 12124
3-(Diethylamino)phenol
CID 7062
Carbamic acid, N-(3-hydroxyphenyl)-, ethyl ester
CID 23548
Methyl (3-hydroxyphenyl)-carbamate
CID 26181
3-(Dimethylamino)phenol
CID 7421
3-Hydroxy-N-phenylaniline
CID 7546
3-Hydroxyphenyltrimethylammonium iodide
CID 17250
Rhodanine, 3-(m-hydroxyphenyl)-
CID 211701
3-Ethylaminophenol
CID 578991
N-(3,5-dihydroxyphenyl)acetamide
CID 792929
3-Hydroxyacetaminophen
CID 161950

Frequently Asked Questions

What is the IUPAC name of S-methyl N-(3-hydroxyphenyl)carbamothioate?
The IUPAC name of S-methyl N-(3-hydroxyphenyl)carbamothioate (CID 29878) is S-methyl N-(3-hydroxyphenyl)carbamothioate.
What is the SMILES notation for S-methyl N-(3-hydroxyphenyl)carbamothioate?
The canonical SMILES for S-methyl N-(3-hydroxyphenyl)carbamothioate is CSC(=O)Nc1cccc(O)c1.
What is the InChIKey of S-methyl N-(3-hydroxyphenyl)carbamothioate?
The InChIKey is FZMQIVKTRXXFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11).
What are the key properties of S-methyl N-(3-hydroxyphenyl)carbamothioate?
S-methyl N-(3-hydroxyphenyl)carbamothioate has a molecular weight of 183.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-(3-hydroxyphenyl)carbamothioate is sourced from PubChem (CID 29878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).