(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol

C12H16OS — CID 22118392

IUPAC(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol
SMILESCc1ccc(C)c2c1SCCC2CO
InChIInChI=1S/C12H16OS/c1-8-3-4-9(2)12-11(8)10(7-13)5-6-14-12/h3-4,10,13H,5-7H2,1-2H3
InChIKeyKGIUVVKTOCPDEC-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.88
Rot. Bonds1

About (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol

(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol (PubChem CID 22118392) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol.

Molecular Properties

Compound Name(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol
PubChem CID22118392
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol
SMILESCc1ccc(C)c2c1SCCC2CO
InChIInChI=1S/C12H16OS/c1-8-3-4-9(2)12-11(8)10(7-13)5-6-14-12/h3-4,10,13H,5-7H2,1-2H3
InChIKeyKGIUVVKTOCPDEC-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol?
The IUPAC name of (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol (CID 22118392) is (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol.
What is the SMILES notation for (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol?
The canonical SMILES for (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol is Cc1ccc(C)c2c1SCCC2CO.
What is the InChIKey of (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol?
The InChIKey is KGIUVVKTOCPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8-3-4-9(2)12-11(8)10(7-13)5-6-14-12/h3-4,10,13H,5-7H2,1-2H3.
What are the key properties of (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol?
(5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol has a molecular weight of 208.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)methanol is sourced from PubChem (CID 22118392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).