ethenyl(methyl)carbamothioic S-acid

C4H7NOS — CID 87914142

IUPACethenyl(methyl)carbamothioic S-acid
SMILESC=CN(C)C(=O)S
InChIInChI=1S/C4H7NOS/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)
InChIKeyQTERBHZGQMQOGU-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.11
Rot. Bonds1

About ethenyl(methyl)carbamothioic S-acid

ethenyl(methyl)carbamothioic S-acid (PubChem CID 87914142) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is ethenyl(methyl)carbamothioic S-acid.

Molecular Properties

Compound Nameethenyl(methyl)carbamothioic S-acid
PubChem CID87914142
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Nameethenyl(methyl)carbamothioic S-acid
SMILESC=CN(C)C(=O)S
InChIInChI=1S/C4H7NOS/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)
InChIKeyQTERBHZGQMQOGU-UHFFFAOYSA-N
XLogP1.11
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethenyl(methyl)carbamothioic S-acid 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

ethane;N-ethenyl-N-methylacetamide
CID 143223383
N-ethenyl-N-[ethenyl(methyl)carbamoyl]formamide
CID 87921740
N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide
CID 155723594
2-[ethenyl(methyl)amino]prop-2-enal
CID 142840242
(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
CID 166842012
N-ethenyl-2-(ethenylamino)-N-methylacetamide
CID 143722545
1-bromo-N-ethenyl-N-methylethenamine
CID 123261561
1-N'-ethenyl-1-N'-methylethene-1,1-diamine
CID 174001466
ethanethioic S-acid;prop-1-ene
CID 174856563
1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea
CID 89271029
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
carbamothioic S-acid;prop-1-ene
CID 87430768

Frequently Asked Questions

What is the IUPAC name of ethenyl(methyl)carbamothioic S-acid?
The IUPAC name of ethenyl(methyl)carbamothioic S-acid (CID 87914142) is ethenyl(methyl)carbamothioic S-acid.
What is the SMILES notation for ethenyl(methyl)carbamothioic S-acid?
The canonical SMILES for ethenyl(methyl)carbamothioic S-acid is C=CN(C)C(=O)S.
What is the InChIKey of ethenyl(methyl)carbamothioic S-acid?
The InChIKey is QTERBHZGQMQOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7).
What are the key properties of ethenyl(methyl)carbamothioic S-acid?
ethenyl(methyl)carbamothioic S-acid has a molecular weight of 117.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methyl)carbamothioic S-acid is sourced from PubChem (CID 87914142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).