prop-2-enylsulfanyl N,N-dimethylcarbamodithioate

C6H11NS3 — CID 134988100

IUPACprop-2-enylsulfanyl N,N-dimethylcarbamodithioate
SMILESC=CCSSC(=S)N(C)C
InChIInChI=1S/C6H11NS3/c1-4-5-9-10-6(8)7(2)3/h4H,1,5H2,2-3H3
InChIKeyXUOLFYFBRXCKLI-UHFFFAOYSA-N
MW193.36 g/mol
LogP2.40
Rot. Bonds3

About prop-2-enylsulfanyl N,N-dimethylcarbamodithioate

prop-2-enylsulfanyl N,N-dimethylcarbamodithioate (PubChem CID 134988100) has the molecular formula C6H11NS3 and a molecular weight of 193.36 g/mol. Its IUPAC name is prop-2-enylsulfanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Nameprop-2-enylsulfanyl N,N-dimethylcarbamodithioate
PubChem CID134988100
Molecular FormulaC6H11NS3
Molecular Weight193.36 g/mol
Exact Mass193.01
IUPAC Nameprop-2-enylsulfanyl N,N-dimethylcarbamodithioate
SMILESC=CCSSC(=S)N(C)C
InChIInChI=1S/C6H11NS3/c1-4-5-9-10-6(8)7(2)3/h4H,1,5H2,2-3H3
InChIKeyXUOLFYFBRXCKLI-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze prop-2-enylsulfanyl N,N-dimethylcarbamodithioate 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

Dimethyldithiocarbamic Acid Allyl Ester
CID 257640
crotyl-N,N-dimethyldithiocarbamate
CID 54025393
lithium prop-2-enyl N,N-dimethylcarbamodithioate
CID 134906513
prop-2-enylsulfanyl N,N-diethylcarbamodithioate
CID 134917343
(2E)-2-butenyl dimethyldithiocarbamate
CID 13021141
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 87096323
[(Z)-but-2-enyl] N,N-dimethylcarbamodithioate
CID 148315050
1-Methyl-2-propenyl dimethyldithiocarbamate
CID 24977332
(2E)-3-(methylsulfanyl)-2-propenyl dimethyldithiocarbamate
CID 24977375
Trimethyl(prop-2-enylsulfanyl)azanium
CID 174540923

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfanyl N,N-dimethylcarbamodithioate?
The IUPAC name of prop-2-enylsulfanyl N,N-dimethylcarbamodithioate (CID 134988100) is prop-2-enylsulfanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for prop-2-enylsulfanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for prop-2-enylsulfanyl N,N-dimethylcarbamodithioate is C=CCSSC(=S)N(C)C.
What is the InChIKey of prop-2-enylsulfanyl N,N-dimethylcarbamodithioate?
The InChIKey is XUOLFYFBRXCKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS3/c1-4-5-9-10-6(8)7(2)3/h4H,1,5H2,2-3H3.
What are the key properties of prop-2-enylsulfanyl N,N-dimethylcarbamodithioate?
prop-2-enylsulfanyl N,N-dimethylcarbamodithioate has a molecular weight of 193.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 134988100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).