8-chloro-1,2,3,4-tetrahydrodibenzothiophene

C12H11ClS — CID 54320978

IUPAC8-chloro-1,2,3,4-tetrahydrodibenzothiophene
SMILESClc1ccc2sc3c(c2c1)CCCC3
InChIInChI=1S/C12H11ClS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7H,1-4H2
InChIKeySRQFCYVFEMVUJT-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.43
Rot. Bonds

About 8-chloro-1,2,3,4-tetrahydrodibenzothiophene

8-chloro-1,2,3,4-tetrahydrodibenzothiophene (PubChem CID 54320978) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 8-chloro-1,2,3,4-tetrahydrodibenzothiophene.

Molecular Properties

Compound Name8-chloro-1,2,3,4-tetrahydrodibenzothiophene
PubChem CID54320978
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name8-chloro-1,2,3,4-tetrahydrodibenzothiophene
SMILESClc1ccc2sc3c(c2c1)CCCC3
InChIInChI=1S/C12H11ClS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7H,1-4H2
InChIKeySRQFCYVFEMVUJT-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4-tetrahydrodibenzothiophene?
The IUPAC name of 8-chloro-1,2,3,4-tetrahydrodibenzothiophene (CID 54320978) is 8-chloro-1,2,3,4-tetrahydrodibenzothiophene.
What is the SMILES notation for 8-chloro-1,2,3,4-tetrahydrodibenzothiophene?
The canonical SMILES for 8-chloro-1,2,3,4-tetrahydrodibenzothiophene is Clc1ccc2sc3c(c2c1)CCCC3.
What is the InChIKey of 8-chloro-1,2,3,4-tetrahydrodibenzothiophene?
The InChIKey is SRQFCYVFEMVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7H,1-4H2.
What are the key properties of 8-chloro-1,2,3,4-tetrahydrodibenzothiophene?
8-chloro-1,2,3,4-tetrahydrodibenzothiophene has a molecular weight of 222.74 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4-tetrahydrodibenzothiophene is sourced from PubChem (CID 54320978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).