[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate

C7H13NS3 — CID 24977375

IUPAC[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate
SMILESCS/C=C/CSC(=S)N(C)C
InChIInChI=1S/C7H13NS3/c1-8(2)7(9)11-6-4-5-10-3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZTZXDZUDBNAOHZ-SNAWJCMRSA-N
MW207.39 g/mol
LogP2.44
Rot. Bonds3

About [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate

[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate (PubChem CID 24977375) has the molecular formula C7H13NS3 and a molecular weight of 207.39 g/mol. Its IUPAC name is [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate
PubChem CID24977375
Molecular FormulaC7H13NS3
Molecular Weight207.39 g/mol
Exact Mass207.02
IUPAC Name[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate
SMILESCS/C=C/CSC(=S)N(C)C
InChIInChI=1S/C7H13NS3/c1-8(2)7(9)11-6-4-5-10-3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZTZXDZUDBNAOHZ-SNAWJCMRSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyldithiocarbamic Acid Allyl Ester
CID 257640
S-Allyl-N,N-diethyldithiocarbamate
CID 524151
crotyl-N,N-dimethyldithiocarbamate
CID 54025393
2-Chloroprop-2-en-1-yl dimethylcarbamodithioate
CID 313662
N-dimethylaminomethylene-4-thiolene-2-thione
CID 129805795
lithium prop-2-enyl N,N-dimethylcarbamodithioate
CID 134906513
prop-2-enylsulfanyl N,N-dimethylcarbamodithioate
CID 134988100
2-Methylprop-2-en-1-yl dimethylcarbamodithioate
CID 13021140
(2E)-2-butenyl dimethyldithiocarbamate
CID 13021141
prop-2-enyl N-hydroxy-N-methylcarbamodithioate
CID 54306645
prop-1-enyl N,N-diethylcarbamodithioate
CID 141519371
[(Z)-but-2-enyl] N,N-dimethylcarbamodithioate
CID 148315050

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate (CID 24977375) is [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate is CS/C=C/CSC(=S)N(C)C.
What is the InChIKey of [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate?
The InChIKey is ZTZXDZUDBNAOHZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NS3/c1-8(2)7(9)11-6-4-5-10-3/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate?
[(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate has a molecular weight of 207.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylsulfanylprop-2-enyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 24977375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).