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

Analyze 8-chloro-1,2,3,4-tetrahydrodibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 79525122
6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
CID 141017575
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
2-[(2,4-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2244469
2-amino-N-(2,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4514007
6-chloro-2-methylthiochromen-4-one
CID 2810162
30,32-dithiaheptacyclo[23.3.1.12,6.13,28.111,15.114,17.116,20]tetratriaconta-1(28),2,4,6(34),11(33),12,14,16,18,20(31),25(29),26-dodecaene
CID 102242300
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 21009767
N-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 15994565
5-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine
CID 3073485
5-chloro-2,3-diphenyl-1-benzothiophene
CID 13027063

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).