2,3-bis(methylsulfanyl)-1-benzothiophene

C10H10S3 — CID 11009677

IUPAC2,3-bis(methylsulfanyl)-1-benzothiophene
SMILESCSc1sc2ccccc2c1SC
InChIInChI=1S/C10H10S3/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H3
InChIKeyWYAVCNJNUOGKMN-UHFFFAOYSA-N
MW226.39 g/mol
LogP4.35
Rot. Bonds2

About 2,3-bis(methylsulfanyl)-1-benzothiophene

2,3-bis(methylsulfanyl)-1-benzothiophene (PubChem CID 11009677) has the molecular formula C10H10S3 and a molecular weight of 226.39 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)-1-benzothiophene.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)-1-benzothiophene
PubChem CID11009677
Molecular FormulaC10H10S3
Molecular Weight226.39 g/mol
Exact Mass225.99
IUPAC Name2,3-bis(methylsulfanyl)-1-benzothiophene
SMILESCSc1sc2ccccc2c1SC
InChIInChI=1S/C10H10S3/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H3
InChIKeyWYAVCNJNUOGKMN-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
2-methylsulfanyl-4-oxothiochromene-3-carbaldehyde
CID 15933601
bis(dibenzothiophene);ethane
CID 143921746
3-methylsulfanyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 54035615
dibenzothiophene;methane
CID 162233710
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
CID 155647803
trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
CID 102189384
2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol
CID 23271535
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
dibenzothiophene;formaldehyde
CID 20556925

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfanyl)-1-benzothiophene?
The IUPAC name of 2,3-bis(methylsulfanyl)-1-benzothiophene (CID 11009677) is 2,3-bis(methylsulfanyl)-1-benzothiophene.
What is the SMILES notation for 2,3-bis(methylsulfanyl)-1-benzothiophene?
The canonical SMILES for 2,3-bis(methylsulfanyl)-1-benzothiophene is CSc1sc2ccccc2c1SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)-1-benzothiophene?
The InChIKey is WYAVCNJNUOGKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S3/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)-1-benzothiophene?
2,3-bis(methylsulfanyl)-1-benzothiophene has a molecular weight of 226.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)-1-benzothiophene is sourced from PubChem (CID 11009677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).