4,4-dimethyl-2,3-dihydrothiochromen-6-ol

C11H14OS — CID 19834253

IUPAC4,4-dimethyl-2,3-dihydrothiochromen-6-ol
SMILESCC1(C)CCSc2ccc(O)cc21
InChIInChI=1S/C11H14OS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeySXPBGVVXFMMVMX-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.17
Rot. Bonds

About 4,4-dimethyl-2,3-dihydrothiochromen-6-ol

4,4-dimethyl-2,3-dihydrothiochromen-6-ol (PubChem CID 19834253) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydrothiochromen-6-ol.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydrothiochromen-6-ol
PubChem CID19834253
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4,4-dimethyl-2,3-dihydrothiochromen-6-ol
SMILESCC1(C)CCSc2ccc(O)cc21
InChIInChI=1S/C11H14OS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3
InChIKeySXPBGVVXFMMVMX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromen-6-ol?
The IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromen-6-ol (CID 19834253) is 4,4-dimethyl-2,3-dihydrothiochromen-6-ol.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydrothiochromen-6-ol?
The canonical SMILES for 4,4-dimethyl-2,3-dihydrothiochromen-6-ol is CC1(C)CCSc2ccc(O)cc21.
What is the InChIKey of 4,4-dimethyl-2,3-dihydrothiochromen-6-ol?
The InChIKey is SXPBGVVXFMMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydrothiochromen-6-ol?
4,4-dimethyl-2,3-dihydrothiochromen-6-ol has a molecular weight of 194.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydrothiochromen-6-ol is sourced from PubChem (CID 19834253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).