pent-1-en-3-yl N,N-dimethylcarbamodithioate

C8H15NS2 — CID 24975957

IUPACpent-1-en-3-yl N,N-dimethylcarbamodithioate
SMILESC=CC(CC)SC(=S)N(C)C
InChIInChI=1S/C8H15NS2/c1-5-7(6-2)11-8(10)9(3)4/h5,7H,1,6H2,2-4H3
InChIKeyMNIMQUIYQJEEGI-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.53
Rot. Bonds3

About pent-1-en-3-yl N,N-dimethylcarbamodithioate

pent-1-en-3-yl N,N-dimethylcarbamodithioate (PubChem CID 24975957) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is pent-1-en-3-yl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namepent-1-en-3-yl N,N-dimethylcarbamodithioate
PubChem CID24975957
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Namepent-1-en-3-yl N,N-dimethylcarbamodithioate
SMILESC=CC(CC)SC(=S)N(C)C
InChIInChI=1S/C8H15NS2/c1-5-7(6-2)11-8(10)9(3)4/h5,7H,1,6H2,2-4H3
InChIKeyMNIMQUIYQJEEGI-UHFFFAOYSA-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

Dimethyldithiocarbamic Acid Allyl Ester
CID 257640
N-dimethylaminomethylene-4-thiolene-2-thione
CID 129805795
[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate
CID 10584322
(2E)-2-pentenyl dimethyldithiocarbamate
CID 24975958
1-Methyl-2-propenyl dimethyldithiocarbamate
CID 24977332
(2E)-1-methyl-2-butenyl dimethyldithiocarbamate
CID 24977333
(2E)-2-heptenyl dimethyldithiocarbamate
CID 24977334
(2E)-3-(methylsulfanyl)-2-propenyl dimethyldithiocarbamate
CID 24977375
1-Pentyl-2-propenyl dimethyldithiocarbamate
CID 24977376
1-Cyanobut-3-en-1-yl dimethylcarbamodithioate
CID 71394823
but-3-enyl N,N-dimethylcarbamodithioate
CID 101724807

Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yl N,N-dimethylcarbamodithioate?
The IUPAC name of pent-1-en-3-yl N,N-dimethylcarbamodithioate (CID 24975957) is pent-1-en-3-yl N,N-dimethylcarbamodithioate.
What is the SMILES notation for pent-1-en-3-yl N,N-dimethylcarbamodithioate?
The canonical SMILES for pent-1-en-3-yl N,N-dimethylcarbamodithioate is C=CC(CC)SC(=S)N(C)C.
What is the InChIKey of pent-1-en-3-yl N,N-dimethylcarbamodithioate?
The InChIKey is MNIMQUIYQJEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-5-7(6-2)11-8(10)9(3)4/h5,7H,1,6H2,2-4H3.
What are the key properties of pent-1-en-3-yl N,N-dimethylcarbamodithioate?
pent-1-en-3-yl 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 pent-1-en-3-yl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 24975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).