7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole

C17H12S2 — CID 146520517

IUPAC7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
SMILESC=c1sc2cc3c(cc2c1=C)sc1cc(C)ccc13
InChIInChI=1S/C17H12S2/c1-9-4-5-12-14-8-16-13(10(2)11(3)18-16)7-17(14)19-15(12)6-9/h4-8H,2-3H2,1H3
InChIKeyPTTBRNABGMOQOG-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.40
Rot. Bonds

About 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole

7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole (PubChem CID 146520517) has the molecular formula C17H12S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole.

Molecular Properties

Compound Name7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
PubChem CID146520517
Molecular FormulaC17H12S2
Molecular Weight280.42 g/mol
Exact Mass280.04
IUPAC Name7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
SMILESC=c1sc2cc3c(cc2c1=C)sc1cc(C)ccc13
InChIInChI=1S/C17H12S2/c1-9-4-5-12-14-8-16-13(10(2)11(3)18-16)7-17(14)19-15(12)6-9/h4-8H,2-3H2,1H3
InChIKeyPTTBRNABGMOQOG-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole?
The IUPAC name of 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole (CID 146520517) is 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole.
What is the SMILES notation for 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole?
The canonical SMILES for 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole is C=c1sc2cc3c(cc2c1=C)sc1cc(C)ccc13.
What is the InChIKey of 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole?
The InChIKey is PTTBRNABGMOQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12S2/c1-9-4-5-12-14-8-16-13(10(2)11(3)18-16)7-17(14)19-15(12)6-9/h4-8H,2-3H2,1H3.
What are the key properties of 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole?
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole has a molecular weight of 280.42 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole is sourced from PubChem (CID 146520517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).