10-phenylsulfanyldecylsulfanylbenzene

C22H30S2 — CID 11739854

IUPAC10-phenylsulfanyldecylsulfanylbenzene
SMILESc1ccc(SCCCCCCCCCCSc2ccccc2)cc1
InChIInChI=1S/C22H30S2/c1(3-5-13-19-23-21-15-9-7-10-16-21)2-4-6-14-20-24-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2
InChIKeyBCZFNTBRJATECZ-UHFFFAOYSA-N
MW358.62 g/mol
LogP7.69
Rot. Bonds13

About 10-phenylsulfanyldecylsulfanylbenzene

10-phenylsulfanyldecylsulfanylbenzene (PubChem CID 11739854) has the molecular formula C22H30S2 and a molecular weight of 358.62 g/mol. Its IUPAC name is 10-phenylsulfanyldecylsulfanylbenzene.

Molecular Properties

Compound Name10-phenylsulfanyldecylsulfanylbenzene
PubChem CID11739854
Molecular FormulaC22H30S2
Molecular Weight358.62 g/mol
Exact Mass358.18
IUPAC Name10-phenylsulfanyldecylsulfanylbenzene
SMILESc1ccc(SCCCCCCCCCCSc2ccccc2)cc1
InChIInChI=1S/C22H30S2/c1(3-5-13-19-23-21-15-9-7-10-16-21)2-4-6-14-20-24-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2
InChIKeyBCZFNTBRJATECZ-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfide
CID 8766
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Benzyl phenyl sulfide
CID 13255
Cyclopropyl phenyl sulfide
CID 123348
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
S-Allylthiobenzene
CID 79180

Frequently Asked Questions

What is the IUPAC name of 10-phenylsulfanyldecylsulfanylbenzene?
The IUPAC name of 10-phenylsulfanyldecylsulfanylbenzene (CID 11739854) is 10-phenylsulfanyldecylsulfanylbenzene.
What is the SMILES notation for 10-phenylsulfanyldecylsulfanylbenzene?
The canonical SMILES for 10-phenylsulfanyldecylsulfanylbenzene is c1ccc(SCCCCCCCCCCSc2ccccc2)cc1.
What is the InChIKey of 10-phenylsulfanyldecylsulfanylbenzene?
The InChIKey is BCZFNTBRJATECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30S2/c1(3-5-13-19-23-21-15-9-7-10-16-21)2-4-6-14-20-24-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2.
What are the key properties of 10-phenylsulfanyldecylsulfanylbenzene?
10-phenylsulfanyldecylsulfanylbenzene has a molecular weight of 358.62 g/mol, XLogP of 7.69, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylsulfanyldecylsulfanylbenzene is sourced from PubChem (CID 11739854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).