3-(disulfanyl)prop-1-enylbenzene

C9H10S2 — CID 173164677

IUPAC3-(disulfanyl)prop-1-enylbenzene
SMILESSSCC=Cc1ccccc1
InChIInChI=1S/C9H10S2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
InChIKeyKXAFAKKVTBRMKZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds3

About 3-(disulfanyl)prop-1-enylbenzene

3-(disulfanyl)prop-1-enylbenzene (PubChem CID 173164677) has the molecular formula C9H10S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(disulfanyl)prop-1-enylbenzene.

Molecular Properties

Compound Name3-(disulfanyl)prop-1-enylbenzene
PubChem CID173164677
Molecular FormulaC9H10S2
Molecular Weight182.31 g/mol
Exact Mass182.02
IUPAC Name3-(disulfanyl)prop-1-enylbenzene
SMILESSSCC=Cc1ccccc1
InChIInChI=1S/C9H10S2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
InChIKeyKXAFAKKVTBRMKZ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(disulfanyl)prop-1-enylbenzene 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

[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
3-benzylsulfanylprop-1-enylbenzene
CID 71388292
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
CID 43299480
methylsulfanyl-[(E)-3-phenylprop-2-enyl]sulfanylmethanone
CID 11096252
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
[(E)-3-(1,2,2,2-tetrachloroethylsulfanyl)prop-1-enyl]benzene
CID 12687905
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)prop-1-enylbenzene?
The IUPAC name of 3-(disulfanyl)prop-1-enylbenzene (CID 173164677) is 3-(disulfanyl)prop-1-enylbenzene.
What is the SMILES notation for 3-(disulfanyl)prop-1-enylbenzene?
The canonical SMILES for 3-(disulfanyl)prop-1-enylbenzene is SSCC=Cc1ccccc1.
What is the InChIKey of 3-(disulfanyl)prop-1-enylbenzene?
The InChIKey is KXAFAKKVTBRMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2.
What are the key properties of 3-(disulfanyl)prop-1-enylbenzene?
3-(disulfanyl)prop-1-enylbenzene has a molecular weight of 182.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)prop-1-enylbenzene is sourced from PubChem (CID 173164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).