(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol

C6H10OS2 — CID 88890816

IUPAC(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCSC1CC=C(CO)S1
InChIInChI=1S/C6H10OS2/c1-8-6-3-2-5(4-7)9-6/h2,6-7H,3-4H2,1H3
InChIKeyYZOOZQMGOQXBBG-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.69
Rot. Bonds2

About (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol

(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol (PubChem CID 88890816) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol
PubChem CID88890816
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCSC1CC=C(CO)S1
InChIInChI=1S/C6H10OS2/c1-8-6-3-2-5(4-7)9-6/h2,6-7H,3-4H2,1H3
InChIKeyYZOOZQMGOQXBBG-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol?
The IUPAC name of (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol (CID 88890816) is (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol.
What is the SMILES notation for (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol?
The canonical SMILES for (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol is CSC1CC=C(CO)S1.
What is the InChIKey of (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol?
The InChIKey is YZOOZQMGOQXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-8-6-3-2-5(4-7)9-6/h2,6-7H,3-4H2,1H3.
What are the key properties of (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol?
(2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol has a molecular weight of 162.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol is sourced from PubChem (CID 88890816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).