1-prop-2-enylsulfanylheptane

C10H20S — CID 10702354

IUPAC1-prop-2-enylsulfanylheptane
SMILESC=CCSCCCCCCC
InChIInChI=1S/C10H20S/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3
InChIKeyRKGXKSKARINOJQ-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds8

About 1-prop-2-enylsulfanylheptane

1-prop-2-enylsulfanylheptane (PubChem CID 10702354) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylheptane.

Molecular Properties

Compound Name1-prop-2-enylsulfanylheptane
PubChem CID10702354
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-prop-2-enylsulfanylheptane
SMILESC=CCSCCCCCCC
InChIInChI=1S/C10H20S/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3
InChIKeyRKGXKSKARINOJQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-enylsulfanylheptane with MolForge

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

Launch Full Analysis

Related Compounds

Sulfide, allyl pentyl
CID 525486
5-Methyl-4,7-dithia-1,9-decadiene
CID 6428997
Sulfide, heptyl vinyl
CID 534213
Allyl N-hexyl sulfide
CID 7010427
Hexadecyl allyl thioether
CID 10637845
Dodecane, 1-(2-propenylthio)-
CID 10752713
1-Decylthioprop-2-ene
CID 10775022
Allyl cyclohexyl sulfide
CID 11126514
Octadecyl allyl thioether
CID 15110595
6-Methyl-4,5,8-trithia-1,10-undecadiene
CID 6428998
1-Prop-2-enylsulfinyldodecane
CID 10515398
(E)-1-butylsulfanyloct-1-ene
CID 13468729

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanylheptane?
The IUPAC name of 1-prop-2-enylsulfanylheptane (CID 10702354) is 1-prop-2-enylsulfanylheptane.
What is the SMILES notation for 1-prop-2-enylsulfanylheptane?
The canonical SMILES for 1-prop-2-enylsulfanylheptane is C=CCSCCCCCCC.
What is the InChIKey of 1-prop-2-enylsulfanylheptane?
The InChIKey is RKGXKSKARINOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-6-7-8-10-11-9-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 1-prop-2-enylsulfanylheptane?
1-prop-2-enylsulfanylheptane has a molecular weight of 172.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylheptane is sourced from PubChem (CID 10702354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).