2-methylprop-2-enyl N,N-dimethylcarbamodithioate

C7H13NS2 — CID 13021140

IUPAC2-methylprop-2-enyl N,N-dimethylcarbamodithioate
SMILESC=C(C)CSC(=S)N(C)C
InChIInChI=1S/C7H13NS2/c1-6(2)5-10-7(9)8(3)4/h1,5H2,2-4H3
InChIKeyUYBCNGCCOSKKKC-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.14
Rot. Bonds2

About 2-methylprop-2-enyl N,N-dimethylcarbamodithioate

2-methylprop-2-enyl N,N-dimethylcarbamodithioate (PubChem CID 13021140) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 2-methylprop-2-enyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name2-methylprop-2-enyl N,N-dimethylcarbamodithioate
PubChem CID13021140
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name2-methylprop-2-enyl N,N-dimethylcarbamodithioate
SMILESC=C(C)CSC(=S)N(C)C
InChIInChI=1S/C7H13NS2/c1-6(2)5-10-7(9)8(3)4/h1,5H2,2-4H3
InChIKeyUYBCNGCCOSKKKC-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl N,N-dimethylcarbamodithioate?
The IUPAC name of 2-methylprop-2-enyl N,N-dimethylcarbamodithioate (CID 13021140) is 2-methylprop-2-enyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for 2-methylprop-2-enyl N,N-dimethylcarbamodithioate?
The canonical SMILES for 2-methylprop-2-enyl N,N-dimethylcarbamodithioate is C=C(C)CSC(=S)N(C)C.
What is the InChIKey of 2-methylprop-2-enyl N,N-dimethylcarbamodithioate?
The InChIKey is UYBCNGCCOSKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-6(2)5-10-7(9)8(3)4/h1,5H2,2-4H3.
What are the key properties of 2-methylprop-2-enyl N,N-dimethylcarbamodithioate?
2-methylprop-2-enyl N,N-dimethylcarbamodithioate has a molecular weight of 175.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 13021140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).