(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol

C6H10OS2 — CID 595487

IUPAC(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
SMILESCC1=C(CO)SCCS1
InChIInChI=1S/C6H10OS2/c1-5-6(4-7)9-3-2-8-5/h7H,2-4H2,1H3
InChIKeyFQWZNHQRHMQQHH-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.69
Rot. Bonds1

About (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol

(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol (PubChem CID 595487) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
PubChem CID595487
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol
SMILESCC1=C(CO)SCCS1
InChIInChI=1S/C6H10OS2/c1-5-6(4-7)9-3-2-8-5/h7H,2-4H2,1H3
InChIKeyFQWZNHQRHMQQHH-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol (CID 595487) is (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol is CC1=C(CO)SCCS1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
The InChIKey is FQWZNHQRHMQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-5-6(4-7)9-3-2-8-5/h7H,2-4H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol?
(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol has a molecular weight of 162.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-dithiin-5-yl)methanol is sourced from PubChem (CID 595487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).