6-methyl-3,4-dihydro-2H-thiochromene

C10H12S — CID 12505468

IUPAC6-methyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H12S/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7H,2-3,6H2,1H3
InChIKeyDIANRASGHUFPAF-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.03
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-thiochromene

6-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 12505468) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-thiochromene
PubChem CID12505468
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name6-methyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H12S/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7H,2-3,6H2,1H3
InChIKeyDIANRASGHUFPAF-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6-methyl-3,4-dihydro-2H-thiochromene (CID 12505468) is 6-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-thiochromene is Cc1ccc2c(c1)CCCS2.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is DIANRASGHUFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-thiochromene?
6-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 164.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 12505468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).