6H-benzo[c]thiochromen-6-ol

C13H10OS — CID 13153992

IUPAC6H-benzo[c]thiochromen-6-ol
SMILESOC1Sc2ccccc2-c2ccccc21
InChIInChI=1S/C13H10OS/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8,13-14H
InChIKeyDEECQEDTPSSUSY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.45
Rot. Bonds

About 6H-benzo[c]thiochromen-6-ol

6H-benzo[c]thiochromen-6-ol (PubChem CID 13153992) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 6H-benzo[c]thiochromen-6-ol.

Molecular Properties

Compound Name6H-benzo[c]thiochromen-6-ol
PubChem CID13153992
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name6H-benzo[c]thiochromen-6-ol
SMILESOC1Sc2ccccc2-c2ccccc21
InChIInChI=1S/C13H10OS/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8,13-14H
InChIKeyDEECQEDTPSSUSY-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-benzo[c]thiochromen-6-ol?
The IUPAC name of 6H-benzo[c]thiochromen-6-ol (CID 13153992) is 6H-benzo[c]thiochromen-6-ol.
What is the SMILES notation for 6H-benzo[c]thiochromen-6-ol?
The canonical SMILES for 6H-benzo[c]thiochromen-6-ol is OC1Sc2ccccc2-c2ccccc21.
What is the InChIKey of 6H-benzo[c]thiochromen-6-ol?
The InChIKey is DEECQEDTPSSUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8,13-14H.
What are the key properties of 6H-benzo[c]thiochromen-6-ol?
6H-benzo[c]thiochromen-6-ol has a molecular weight of 214.29 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzo[c]thiochromen-6-ol is sourced from PubChem (CID 13153992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).