(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol

C10H12OS — CID 124706859

IUPAC(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CCS2
InChIInChI=1S/C10H12OS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1
InChIKeyFDJWJLFQRPFLCM-SECBINFHSA-N
MW180.27 g/mol
LogP2.52
Rot. Bonds

About (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol

(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 124706859) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID124706859
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CCS2
InChIInChI=1S/C10H12OS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1
InChIKeyFDJWJLFQRPFLCM-SECBINFHSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol (CID 124706859) is (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol is Cc1ccc2c(c1)[C@H](O)CCS2.
What is the InChIKey of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is FDJWJLFQRPFLCM-SECBINFHSA-N. The full InChI is InChI=1S/C10H12OS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol?
(4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 180.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 124706859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).