S-methyl N-[(E)-prop-1-enyl]carbamothioate

C5H9NOS — CID 142901647

IUPACS-methyl N-[(E)-prop-1-enyl]carbamothioate
SMILESC/C=C/NC(=O)SC
InChIInChI=1S/C5H9NOS/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyWTVSVAKNJLEYIA-ONEGZZNKSA-N
MW131.20 g/mol
LogP1.59
Rot. Bonds1

About S-methyl N-[(E)-prop-1-enyl]carbamothioate

S-methyl N-[(E)-prop-1-enyl]carbamothioate (PubChem CID 142901647) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is S-methyl N-[(E)-prop-1-enyl]carbamothioate.

Molecular Properties

Compound NameS-methyl N-[(E)-prop-1-enyl]carbamothioate
PubChem CID142901647
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameS-methyl N-[(E)-prop-1-enyl]carbamothioate
SMILESC/C=C/NC(=O)SC
InChIInChI=1S/C5H9NOS/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyWTVSVAKNJLEYIA-ONEGZZNKSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-methyl N-[(E)-prop-1-enyl]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

N-[(Z)-prop-1-enyl]acetamide
CID 5325885
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
2-methyl-N-prop-1-enylpropanamide
CID 74003978
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 142847691
(3Z,5E)-5-methylsulfanyl-N-[(E)-prop-1-enyl]hepta-1,3,5-trien-2-amine
CID 129144376
S-methyl N-sulfanylcarbamothioate
CID 154257163
N-[(E)-prop-1-enyl]pentanamide
CID 121306108
3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
CID 11469197
2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
CID 130335453
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
sodium;hydride;S-methyl N-methylcarbamothioate
CID 174959899

Frequently Asked Questions

What is the IUPAC name of S-methyl N-[(E)-prop-1-enyl]carbamothioate?
The IUPAC name of S-methyl N-[(E)-prop-1-enyl]carbamothioate (CID 142901647) is S-methyl N-[(E)-prop-1-enyl]carbamothioate.
What is the SMILES notation for S-methyl N-[(E)-prop-1-enyl]carbamothioate?
The canonical SMILES for S-methyl N-[(E)-prop-1-enyl]carbamothioate is C/C=C/NC(=O)SC.
What is the InChIKey of S-methyl N-[(E)-prop-1-enyl]carbamothioate?
The InChIKey is WTVSVAKNJLEYIA-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+.
What are the key properties of S-methyl N-[(E)-prop-1-enyl]carbamothioate?
S-methyl N-[(E)-prop-1-enyl]carbamothioate has a molecular weight of 131.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-[(E)-prop-1-enyl]carbamothioate is sourced from PubChem (CID 142901647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).