prop-2-enyl N,N-diethylcarbamodithioate

C8H15NS2 — CID 524151

IUPACprop-2-enyl N,N-diethylcarbamodithioate
SMILESC=CCSC(=S)N(CC)CC
InChIInChI=1S/C8H15NS2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyNLZGRCKPBHBOGE-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.53
Rot. Bonds4

About prop-2-enyl N,N-diethylcarbamodithioate

prop-2-enyl N,N-diethylcarbamodithioate (PubChem CID 524151) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is prop-2-enyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameprop-2-enyl N,N-diethylcarbamodithioate
PubChem CID524151
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Nameprop-2-enyl N,N-diethylcarbamodithioate
SMILESC=CCSC(=S)N(CC)CC
InChIInChI=1S/C8H15NS2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyNLZGRCKPBHBOGE-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N,N-diethylcarbamodithioate?
The IUPAC name of prop-2-enyl N,N-diethylcarbamodithioate (CID 524151) is prop-2-enyl N,N-diethylcarbamodithioate.
What is the SMILES notation for prop-2-enyl N,N-diethylcarbamodithioate?
The canonical SMILES for prop-2-enyl N,N-diethylcarbamodithioate is C=CCSC(=S)N(CC)CC.
What is the InChIKey of prop-2-enyl N,N-diethylcarbamodithioate?
The InChIKey is NLZGRCKPBHBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of prop-2-enyl N,N-diethylcarbamodithioate?
prop-2-enyl N,N-diethylcarbamodithioate has a molecular weight of 189.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 524151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).