2-(4-methylphenyl)sulfanyl-1-benzothiophene

C15H12S2 — CID 134891207

IUPAC2-(4-methylphenyl)sulfanyl-1-benzothiophene
SMILESCc1ccc(Sc2cc3ccccc3s2)cc1
InChIInChI=1S/C15H12S2/c1-11-6-8-13(9-7-11)16-15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3
InChIKeyISVIDVVGHYGFGH-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.36
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyl-1-benzothiophene

2-(4-methylphenyl)sulfanyl-1-benzothiophene (PubChem CID 134891207) has the molecular formula C15H12S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-benzothiophene
PubChem CID134891207
Molecular FormulaC15H12S2
Molecular Weight256.39 g/mol
Exact Mass256.04
IUPAC Name2-(4-methylphenyl)sulfanyl-1-benzothiophene
SMILESCc1ccc(Sc2cc3ccccc3s2)cc1
InChIInChI=1S/C15H12S2/c1-11-6-8-13(9-7-11)16-15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3
InChIKeyISVIDVVGHYGFGH-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,12-bis(3-methoxy-3-methylbut-1-ynyl)-7-(4-methylphenyl)sulfanyl-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15,17,19-decaene
CID 129119968
6-[(E)-2-(4-methylphenyl)ethenyl]-2-[6-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
CID 59155987
6-[2-(4-methylphenyl)ethenyl]-2-[6-[2-(4-methylphenyl)ethenyl]thieno[2,3-f][1]benzothiol-2-yl]sulfanylthieno[2,3-f][1]benzothiole
CID 72543249
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-(4-methylphenyl)sulfanyl-1-benzofuran
CID 132510325
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
CID 105285358
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448666
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-benzothiophene?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-benzothiophene (CID 134891207) is 2-(4-methylphenyl)sulfanyl-1-benzothiophene.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-benzothiophene?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-benzothiophene is Cc1ccc(Sc2cc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-benzothiophene?
The InChIKey is ISVIDVVGHYGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S2/c1-11-6-8-13(9-7-11)16-15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-benzothiophene?
2-(4-methylphenyl)sulfanyl-1-benzothiophene has a molecular weight of 256.39 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-benzothiophene is sourced from PubChem (CID 134891207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).