7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene

C10H8Cl2S2 — CID 130926327

IUPAC7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(CCl)c(Cl)c2sccc12
InChIInChI=1S/C10H8Cl2S2/c1-13-8-4-6(5-11)9(12)10-7(8)2-3-14-10/h2-4H,5H2,1H3
InChIKeyUVVZPESQZLBCOK-UHFFFAOYSA-N
MW263.21 g/mol
LogP5.02
Rot. Bonds2

About 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene

7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene (PubChem CID 130926327) has the molecular formula C10H8Cl2S2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
PubChem CID130926327
Molecular FormulaC10H8Cl2S2
Molecular Weight263.21 g/mol
Exact Mass261.94
IUPAC Name7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(CCl)c(Cl)c2sccc12
InChIInChI=1S/C10H8Cl2S2/c1-13-8-4-6(5-11)9(12)10-7(8)2-3-14-10/h2-4H,5H2,1H3
InChIKeyUVVZPESQZLBCOK-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.21
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130985373
6-chloro-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131191503
4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130884289
6-bromo-7-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 130951781
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
CID 130970948
6-iodo-4-methylsulfanyl-1-benzothiophene-7-thiol
CID 130821648
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097
4-chloro-7-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130898597
5-chloro-6-(chloromethyl)-1-benzothiophene-4-thiol
CID 131146370
4-methylsulfanyl-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130970953

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene?
The IUPAC name of 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene (CID 130926327) is 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene is CSc1cc(CCl)c(Cl)c2sccc12.
What is the InChIKey of 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene?
The InChIKey is UVVZPESQZLBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2S2/c1-13-8-4-6(5-11)9(12)10-7(8)2-3-14-10/h2-4H,5H2,1H3.
What are the key properties of 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene?
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene has a molecular weight of 263.21 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130926327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).