6-methylsulfanyl-6H-benzo[c]thiochromene

C14H12S2 — CID 146587506

IUPAC6-methylsulfanyl-6H-benzo[c]thiochromene
SMILESCSC1Sc2ccccc2-c2ccccc21
InChIInChI=1S/C14H12S2/c1-15-14-12-8-3-2-6-10(12)11-7-4-5-9-13(11)16-14/h2-9,14H,1H3
InChIKeyJJCSCKAHOWGOPZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.82
Rot. Bonds1

About 6-methylsulfanyl-6H-benzo[c]thiochromene

6-methylsulfanyl-6H-benzo[c]thiochromene (PubChem CID 146587506) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-methylsulfanyl-6H-benzo[c]thiochromene.

Molecular Properties

Compound Name6-methylsulfanyl-6H-benzo[c]thiochromene
PubChem CID146587506
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name6-methylsulfanyl-6H-benzo[c]thiochromene
SMILESCSC1Sc2ccccc2-c2ccccc21
InChIInChI=1S/C14H12S2/c1-15-14-12-8-3-2-6-10(12)11-7-4-5-9-13(11)16-14/h2-9,14H,1H3
InChIKeyJJCSCKAHOWGOPZ-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-6H-benzo[c]thiochromene?
The IUPAC name of 6-methylsulfanyl-6H-benzo[c]thiochromene (CID 146587506) is 6-methylsulfanyl-6H-benzo[c]thiochromene.
What is the SMILES notation for 6-methylsulfanyl-6H-benzo[c]thiochromene?
The canonical SMILES for 6-methylsulfanyl-6H-benzo[c]thiochromene is CSC1Sc2ccccc2-c2ccccc21.
What is the InChIKey of 6-methylsulfanyl-6H-benzo[c]thiochromene?
The InChIKey is JJCSCKAHOWGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S2/c1-15-14-12-8-3-2-6-10(12)11-7-4-5-9-13(11)16-14/h2-9,14H,1H3.
What are the key properties of 6-methylsulfanyl-6H-benzo[c]thiochromene?
6-methylsulfanyl-6H-benzo[c]thiochromene has a molecular weight of 244.38 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-6H-benzo[c]thiochromene is sourced from PubChem (CID 146587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).