phenylsulfanylbenzene;thiane

C17H20S2 — CID 67766829

IUPACphenylsulfanylbenzene;thiane
SMILESC1CCSCC1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C5H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1-10H;1-5H2
InChIKeyIYXNRBINRKESKE-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.74
Rot. Bonds2

About phenylsulfanylbenzene;thiane

phenylsulfanylbenzene;thiane (PubChem CID 67766829) has the molecular formula C17H20S2 and a molecular weight of 288.48 g/mol. Its IUPAC name is phenylsulfanylbenzene;thiane.

Molecular Properties

Compound Namephenylsulfanylbenzene;thiane
PubChem CID67766829
Molecular FormulaC17H20S2
Molecular Weight288.48 g/mol
Exact Mass288.10
IUPAC Namephenylsulfanylbenzene;thiane
SMILESC1CCSCC1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C5H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1-10H;1-5H2
InChIKeyIYXNRBINRKESKE-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66690055
CID 66690055
4-(4-phenylsulfanylphenyl)thiomorpholine
CID 175943413
diphenylphosphane;thiolane
CID 174886019
methoxymethane;phenylsulfanylbenzene
CID 175087336
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
3-phenylsulfanylthiophene
CID 2778902
2-phenylsulfanyl-4,5-dihydro-1,3-thiazole
CID 22016883
4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
CID 102317381
acetonitrile;phenylsulfanylbenzene
CID 175483964
ethanethiol;phenylsulfanylbenzene
CID 174826904

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylbenzene;thiane?
The IUPAC name of phenylsulfanylbenzene;thiane (CID 67766829) is phenylsulfanylbenzene;thiane.
What is the SMILES notation for phenylsulfanylbenzene;thiane?
The canonical SMILES for phenylsulfanylbenzene;thiane is C1CCSCC1.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of phenylsulfanylbenzene;thiane?
The InChIKey is IYXNRBINRKESKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C5H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1/h1-10H;1-5H2.
What are the key properties of phenylsulfanylbenzene;thiane?
phenylsulfanylbenzene;thiane has a molecular weight of 288.48 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylbenzene;thiane is sourced from PubChem (CID 67766829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).