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

C7H13NS2 — CID 13021141

IUPAC[(E)-but-2-enyl] N,N-dimethylcarbamodithioate
SMILESC/C=C/CSC(=S)N(C)C
InChIInChI=1S/C7H13NS2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyLBUUOSOOWOEXDW-SNAWJCMRSA-N
MW175.32 g/mol
LogP2.14
Rot. Bonds2

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

[(E)-but-2-enyl] N,N-dimethylcarbamodithioate (PubChem CID 13021141) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is [(E)-but-2-enyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(E)-but-2-enyl] N,N-dimethylcarbamodithioate
PubChem CID13021141
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name[(E)-but-2-enyl] N,N-dimethylcarbamodithioate
SMILESC/C=C/CSC(=S)N(C)C
InChIInChI=1S/C7H13NS2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyLBUUOSOOWOEXDW-SNAWJCMRSA-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 [(E)-but-2-enyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(E)-but-2-enyl] N,N-dimethylcarbamodithioate (CID 13021141) is [(E)-but-2-enyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(E)-but-2-enyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(E)-but-2-enyl] N,N-dimethylcarbamodithioate is C/C=C/CSC(=S)N(C)C.
What is the InChIKey of [(E)-but-2-enyl] N,N-dimethylcarbamodithioate?
The InChIKey is LBUUOSOOWOEXDW-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NS2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of [(E)-but-2-enyl] N,N-dimethylcarbamodithioate?
[(E)-but-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 [(E)-but-2-enyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 13021141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).