2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole

C14H6Cl2S2 — CID 12549782

IUPAC2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
SMILESClc1ccc2c(c1)sc1c3ccc(Cl)cc3sc21
InChIInChI=1S/C14H6Cl2S2/c15-7-1-3-9-11(5-7)17-14-10-4-2-8(16)6-12(10)18-13(9)14/h1-6H
InChIKeyOVHLNXRHESZRDX-UHFFFAOYSA-N
MW309.24 g/mol
LogP6.58
Rot. Bonds

About 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole

2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole (PubChem CID 12549782) has the molecular formula C14H6Cl2S2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole.

Molecular Properties

Compound Name2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
PubChem CID12549782
Molecular FormulaC14H6Cl2S2
Molecular Weight309.24 g/mol
Exact Mass307.93
IUPAC Name2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
SMILESClc1ccc2c(c1)sc1c3ccc(Cl)cc3sc21
InChIInChI=1S/C14H6Cl2S2/c15-7-1-3-9-11(5-7)17-14-10-4-2-8(16)6-12(10)18-13(9)14/h1-6H
InChIKeyOVHLNXRHESZRDX-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2,4-difluorodibenzothiophene
CID 156704591
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
(3,6-dichloro-1-benzothiophen-2-yl)methanamine
CID 82363899
3,6-dichloro-1,2-benzothiazole
CID 10560097
7-chlorodibenzothiophen-2-amine
CID 21439881
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
7-chloro-2-sulfanylthiochromen-4-one
CID 11172237
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
6-chloro-2-fluoro-3-methoxy-1-benzothiophene
CID 130792276
6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole?
The IUPAC name of 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole (CID 12549782) is 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole.
What is the SMILES notation for 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole?
The canonical SMILES for 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole is Clc1ccc2c(c1)sc1c3ccc(Cl)cc3sc21.
What is the InChIKey of 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole?
The InChIKey is OVHLNXRHESZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2S2/c15-7-1-3-9-11(5-7)17-14-10-4-2-8(16)6-12(10)18-13(9)14/h1-6H.
What are the key properties of 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole?
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole has a molecular weight of 309.24 g/mol, XLogP of 6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole is sourced from PubChem (CID 12549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).