[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate

C8H15NS2 — CID 24975958

IUPAC[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate
SMILESCC/C=C/CSC(=S)N(C)C
InChIInChI=1S/C8H15NS2/c1-4-5-6-7-11-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyNGIVCWYXGDVHFZ-AATRIKPKSA-N
MW189.35 g/mol
LogP2.53
Rot. Bonds3

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

[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate (PubChem CID 24975958) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate
PubChem CID24975958
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate
SMILESCC/C=C/CSC(=S)N(C)C
InChIInChI=1S/C8H15NS2/c1-4-5-6-7-11-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyNGIVCWYXGDVHFZ-AATRIKPKSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

crotyl-N,N-dimethyldithiocarbamate
CID 54025393
[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl] N,N-dimethylcarbamodithioate
CID 164680473
(2E)-2-butenyl dimethyldithiocarbamate
CID 13021141
[(Z)-but-2-enyl] N,N-dimethylcarbamodithioate
CID 148315050
1-Ethyl-2-propenyl dimethyldithiocarbamate
CID 24975957
1-Methyl-2-propenyl dimethyldithiocarbamate
CID 24977332
(2E)-1-methyl-2-butenyl dimethyldithiocarbamate
CID 24977333
(2E)-2-heptenyl dimethyldithiocarbamate
CID 24977334
(2E)-2-octenyl dimethyldithiocarbamate
CID 24977377
but-3-enyl N,N-dimethylcarbamodithioate
CID 101724807

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate (CID 24975958) is [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate is CC/C=C/CSC(=S)N(C)C.
What is the InChIKey of [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate?
The InChIKey is NGIVCWYXGDVHFZ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NS2/c1-4-5-6-7-11-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+.
What are the key properties of [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate?
[(E)-pent-2-enyl] N,N-dimethylcarbamodithioate has a molecular weight of 189.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-2-enyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 24975958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).