[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene

C18H20S — CID 6373957

IUPAC[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene
SMILESCCCC/C(=C\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H20S/c1-2-3-12-18(15-16-10-6-4-7-11-16)19-17-13-8-5-9-14-17/h4-11,13-15H,2-3,12H2,1H3/b18-15+
InChIKeyXEYIOCNDZKRKNU-OBGWFSINSA-N
MW268.43 g/mol
LogP6.01
Rot. Bonds6

About [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene

[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene (PubChem CID 6373957) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene
PubChem CID6373957
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene
SMILESCCCC/C(=C\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H20S/c1-2-3-12-18(15-16-10-6-4-7-11-16)19-17-13-8-5-9-14-17/h4-11,13-15H,2-3,12H2,1H3/b18-15+
InChIKeyXEYIOCNDZKRKNU-OBGWFSINSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl sulfide
CID 10867
Diphenyl sulfide
CID 8766
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Thioxanthene
CID 67495
Benzene, 1-methyl-3-(methylthio)-
CID 21005
Benzyl phenyl sulfide
CID 13255
Benzyl phenyl sulfoxide
CID 239581
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene?
The IUPAC name of [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene (CID 6373957) is [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene is CCCC/C(=C\c1ccccc1)Sc1ccccc1.
What is the InChIKey of [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene?
The InChIKey is XEYIOCNDZKRKNU-OBGWFSINSA-N. The full InChI is InChI=1S/C18H20S/c1-2-3-12-18(15-16-10-6-4-7-11-16)19-17-13-8-5-9-14-17/h4-11,13-15H,2-3,12H2,1H3/b18-15+.
What are the key properties of [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene?
[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene has a molecular weight of 268.43 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 6373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).