1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene

C17H18S3 — CID 163666912

IUPAC1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C17H18S3/c1-4-18-14-5-7-16(8-6-14)20-17-11-9-15(10-12-17)19-13(2)3/h4-13H,1H2,2-3H3
InChIKeyIZGKLBFVIXGIGY-UHFFFAOYSA-N
MW318.53 g/mol
LogP6.57
Rot. Bonds6

About 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene

1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene (PubChem CID 163666912) has the molecular formula C17H18S3 and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene
PubChem CID163666912
Molecular FormulaC17H18S3
Molecular Weight318.53 g/mol
Exact Mass318.06
IUPAC Name1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C17H18S3/c1-4-18-14-5-7-16(8-6-14)20-17-11-9-15(10-12-17)19-13(2)3/h4-13H,1H2,2-3H3
InChIKeyIZGKLBFVIXGIGY-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene 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

(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
1-(1-bromoethylsulfanyl)-4-[4-(1-bromoethylsulfanyl)phenyl]sulfanylbenzene
CID 139623444
1-ethenylsulfanyl-4-(4-ethenylsulfanylcyclohexa-1,3-dien-1-yl)sulfanylbenzene
CID 130468853
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
CID 82470792
1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene
CID 139961968
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
2-chloro-1-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 116937585
1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
CID 116839309
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene (CID 163666912) is 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene is C=CSc1ccc(Sc2ccc(SC(C)C)cc2)cc1.
What is the InChIKey of 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene?
The InChIKey is IZGKLBFVIXGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S3/c1-4-18-14-5-7-16(8-6-14)20-17-11-9-15(10-12-17)19-13(2)3/h4-13H,1H2,2-3H3.
What are the key properties of 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene?
1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene has a molecular weight of 318.53 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 163666912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).