7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol

C11H14OS — CID 70344076

IUPAC7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1C)SCCC2O
InChIInChI=1S/C11H14OS/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-4,10,12H,5-6H2,1-2H3
InChIKeyZXKRBAHUBGSHKS-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.83
Rot. Bonds

About 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol

7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 70344076) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID70344076
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1C)SCCC2O
InChIInChI=1S/C11H14OS/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-4,10,12H,5-6H2,1-2H3
InChIKeyZXKRBAHUBGSHKS-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol (CID 70344076) is 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol is Cc1ccc2c(c1C)SCCC2O.
What is the InChIKey of 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is ZXKRBAHUBGSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-4,10,12H,5-6H2,1-2H3.
What are the key properties of 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol?
7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 194.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 70344076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).