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

C9H16N2S4 — CID 11471528

IUPAC[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S/C=C/CSC(=S)N(C)C
InChIInChI=1S/C9H16N2S4/c1-10(2)8(12)14-6-5-7-15-9(13)11(3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyNBALUJWXYQAPEK-AATRIKPKSA-N
MW280.51 g/mol
LogP2.66
Rot. Bonds3

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

[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate (PubChem CID 11471528) has the molecular formula C9H16N2S4 and a molecular weight of 280.51 g/mol. Its IUPAC name is [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate
PubChem CID11471528
Molecular FormulaC9H16N2S4
Molecular Weight280.51 g/mol
Exact Mass280.02
IUPAC Name[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S/C=C/CSC(=S)N(C)C
InChIInChI=1S/C9H16N2S4/c1-10(2)8(12)14-6-5-7-15-9(13)11(3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyNBALUJWXYQAPEK-AATRIKPKSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyldithiocarbamic Acid Allyl Ester
CID 257640
crotyl-N,N-dimethyldithiocarbamate
CID 54025393
lithium prop-2-enyl N,N-dimethylcarbamodithioate
CID 134906513
(2E)-2-butenyl dimethyldithiocarbamate
CID 13021141
allyl-N,N-dipropyldithiocarbamate
CID 13021142
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 87096323
azane;prop-2-enyl N,N-diethylcarbamodithioate
CID 87343206
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;3-prop-2-enylsulfanylprop-1-ene
CID 87898177
butylsulfanyl(prop-2-enylsulfanyl)methanethione;ethyl N,N-diethylcarbamodithioate
CID 88694026
[(Z)-but-2-enyl] N,N-dimethylcarbamodithioate
CID 148315050
[(1E,3E)-4-(diethylcarbamothioylsulfanyl)buta-1,3-dienyl] N,N-diethylcarbamodithioate
CID 12734535
(2E)-3-(methylsulfanyl)-2-propenyl dimethyldithiocarbamate
CID 24977375

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate (CID 11471528) is [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)S/C=C/CSC(=S)N(C)C.
What is the InChIKey of [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate?
The InChIKey is NBALUJWXYQAPEK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16N2S4/c1-10(2)8(12)14-6-5-7-15-9(13)11(3)4/h5-6H,7H2,1-4H3/b6-5+.
What are the key properties of [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate?
[(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate has a molecular weight of 280.51 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylcarbamothioylsulfanyl)prop-2-enyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 11471528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).