2-chloroprop-2-enyl N-ethylcarbamodithioate

C6H10ClNS2 — CID 141001184

IUPAC2-chloroprop-2-enyl N-ethylcarbamodithioate
SMILESC=C(Cl)CSC(=S)NCC
InChIInChI=1S/C6H10ClNS2/c1-3-8-6(9)10-4-5(2)7/h2-4H2,1H3,(H,8,9)
InChIKeyIVTXRGDMNOAIRD-UHFFFAOYSA-N
MW195.74 g/mol
LogP2.37
Rot. Bonds3

About 2-chloroprop-2-enyl N-ethylcarbamodithioate

2-chloroprop-2-enyl N-ethylcarbamodithioate (PubChem CID 141001184) has the molecular formula C6H10ClNS2 and a molecular weight of 195.74 g/mol. Its IUPAC name is 2-chloroprop-2-enyl N-ethylcarbamodithioate.

Molecular Properties

Compound Name2-chloroprop-2-enyl N-ethylcarbamodithioate
PubChem CID141001184
Molecular FormulaC6H10ClNS2
Molecular Weight195.74 g/mol
Exact Mass194.99
IUPAC Name2-chloroprop-2-enyl N-ethylcarbamodithioate
SMILESC=C(Cl)CSC(=S)NCC
InChIInChI=1S/C6H10ClNS2/c1-3-8-6(9)10-4-5(2)7/h2-4H2,1H3,(H,8,9)
InChIKeyIVTXRGDMNOAIRD-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl N-ethylcarbamodithioate?
The IUPAC name of 2-chloroprop-2-enyl N-ethylcarbamodithioate (CID 141001184) is 2-chloroprop-2-enyl N-ethylcarbamodithioate.
What is the SMILES notation for 2-chloroprop-2-enyl N-ethylcarbamodithioate?
The canonical SMILES for 2-chloroprop-2-enyl N-ethylcarbamodithioate is C=C(Cl)CSC(=S)NCC.
What is the InChIKey of 2-chloroprop-2-enyl N-ethylcarbamodithioate?
The InChIKey is IVTXRGDMNOAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNS2/c1-3-8-6(9)10-4-5(2)7/h2-4H2,1H3,(H,8,9).
What are the key properties of 2-chloroprop-2-enyl N-ethylcarbamodithioate?
2-chloroprop-2-enyl N-ethylcarbamodithioate has a molecular weight of 195.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl N-ethylcarbamodithioate is sourced from PubChem (CID 141001184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).