S-ethenyl N,N-dimethylcarbamothioate

C5H9NOS — CID 71324085

IUPACS-ethenyl N,N-dimethylcarbamothioate
SMILESC=CSC(=O)N(C)C
InChIInChI=1S/C5H9NOS/c1-4-8-5(7)6(2)3/h4H,1H2,2-3H3
InChIKeyANLONEAZXUZJIP-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.54
Rot. Bonds1

About S-ethenyl N,N-dimethylcarbamothioate

S-ethenyl N,N-dimethylcarbamothioate (PubChem CID 71324085) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is S-ethenyl N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-ethenyl N,N-dimethylcarbamothioate
PubChem CID71324085
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameS-ethenyl N,N-dimethylcarbamothioate
SMILESC=CSC(=O)N(C)C
InChIInChI=1S/C5H9NOS/c1-4-8-5(7)6(2)3/h4H,1H2,2-3H3
InChIKeyANLONEAZXUZJIP-UHFFFAOYSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-ethenyl N,N-dimethylcarbamothioate 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

dimethylcarbamoyl N-hydroxymethanimidothioate
CID 154243487
S-[(1E,3Z)-2-(dimethylcarbamoylsulfanyl)penta-1,3-dienyl] N,N-dimethylcarbamothioate
CID 102369851
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
1-ethenylsulfanyl-1-fluoroethene
CID 139914110
ethenyl 3-oxobutanedithioate
CID 101104413
N-(1-ethenylsulfanylethenyl)-2-formyl-N-methyl-3-oxobutanamide
CID 123587156
dimethylamino prop-2-enoate
CID 20697927
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
methyl (1E)-N-[[[(E)-1-ethenylsulfanylethylideneamino]oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 143167326
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
N,N-dimethylacetamide;formaldehyde
CID 54040691

Frequently Asked Questions

What is the IUPAC name of S-ethenyl N,N-dimethylcarbamothioate?
The IUPAC name of S-ethenyl N,N-dimethylcarbamothioate (CID 71324085) is S-ethenyl N,N-dimethylcarbamothioate.
What is the SMILES notation for S-ethenyl N,N-dimethylcarbamothioate?
The canonical SMILES for S-ethenyl N,N-dimethylcarbamothioate is C=CSC(=O)N(C)C.
What is the InChIKey of S-ethenyl N,N-dimethylcarbamothioate?
The InChIKey is ANLONEAZXUZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-4-8-5(7)6(2)3/h4H,1H2,2-3H3.
What are the key properties of S-ethenyl N,N-dimethylcarbamothioate?
S-ethenyl N,N-dimethylcarbamothioate has a molecular weight of 131.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethenyl N,N-dimethylcarbamothioate is sourced from PubChem (CID 71324085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).