prop-2-enyl N,N-dipropylcarbamodithioate

C10H19NS2 — CID 13021142

IUPACprop-2-enyl N,N-dipropylcarbamodithioate
SMILESC=CCSC(=S)N(CCC)CCC
InChIInChI=1S/C10H19NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyYMBFLCPZECCTSC-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.31
Rot. Bonds6

About prop-2-enyl N,N-dipropylcarbamodithioate

prop-2-enyl N,N-dipropylcarbamodithioate (PubChem CID 13021142) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is prop-2-enyl N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Nameprop-2-enyl N,N-dipropylcarbamodithioate
PubChem CID13021142
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Nameprop-2-enyl N,N-dipropylcarbamodithioate
SMILESC=CCSC(=S)N(CCC)CCC
InChIInChI=1S/C10H19NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyYMBFLCPZECCTSC-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.31
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'}

Analyze prop-2-enyl N,N-dipropylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N,N-dipropylcarbamodithioate?
The IUPAC name of prop-2-enyl N,N-dipropylcarbamodithioate (CID 13021142) is prop-2-enyl N,N-dipropylcarbamodithioate.
What is the SMILES notation for prop-2-enyl N,N-dipropylcarbamodithioate?
The canonical SMILES for prop-2-enyl N,N-dipropylcarbamodithioate is C=CCSC(=S)N(CCC)CCC.
What is the InChIKey of prop-2-enyl N,N-dipropylcarbamodithioate?
The InChIKey is YMBFLCPZECCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-4-7-11(8-5-2)10(12)13-9-6-3/h6H,3-5,7-9H2,1-2H3.
What are the key properties of prop-2-enyl N,N-dipropylcarbamodithioate?
prop-2-enyl N,N-dipropylcarbamodithioate has a molecular weight of 217.40 g/mol, XLogP of 3.31, 6 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-dipropylcarbamodithioate is sourced from PubChem (CID 13021142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).