2-methylprop-2-enyl N,N-diethylcarbamodithioate

C9H17NS2 — CID 524150

IUPAC2-methylprop-2-enyl N,N-diethylcarbamodithioate
SMILESC=C(C)CSC(=S)N(CC)CC
InChIInChI=1S/C9H17NS2/c1-5-10(6-2)9(11)12-7-8(3)4/h3,5-7H2,1-2,4H3
InChIKeyNWZQNOBXSVYLDR-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.92
Rot. Bonds4

About 2-methylprop-2-enyl N,N-diethylcarbamodithioate

2-methylprop-2-enyl N,N-diethylcarbamodithioate (PubChem CID 524150) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2-methylprop-2-enyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name2-methylprop-2-enyl N,N-diethylcarbamodithioate
PubChem CID524150
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2-methylprop-2-enyl N,N-diethylcarbamodithioate
SMILESC=C(C)CSC(=S)N(CC)CC
InChIInChI=1S/C9H17NS2/c1-5-10(6-2)9(11)12-7-8(3)4/h3,5-7H2,1-2,4H3
InChIKeyNWZQNOBXSVYLDR-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.92
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-diethylcarbamodithioate?
The IUPAC name of 2-methylprop-2-enyl N,N-diethylcarbamodithioate (CID 524150) is 2-methylprop-2-enyl N,N-diethylcarbamodithioate.
What is the SMILES notation for 2-methylprop-2-enyl N,N-diethylcarbamodithioate?
The canonical SMILES for 2-methylprop-2-enyl N,N-diethylcarbamodithioate is C=C(C)CSC(=S)N(CC)CC.
What is the InChIKey of 2-methylprop-2-enyl N,N-diethylcarbamodithioate?
The InChIKey is NWZQNOBXSVYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-5-10(6-2)9(11)12-7-8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of 2-methylprop-2-enyl N,N-diethylcarbamodithioate?
2-methylprop-2-enyl N,N-diethylcarbamodithioate has a molecular weight of 203.38 g/mol, XLogP of 2.92, 4 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-diethylcarbamodithioate is sourced from PubChem (CID 524150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).