(3-ethyl-4H-thiopyran-2-yl)methanol

C8H12OS — CID 123493537

IUPAC(3-ethyl-4H-thiopyran-2-yl)methanol
SMILESCCC1=C(CO)SC=CC1
InChIInChI=1S/C8H12OS/c1-2-7-4-3-5-10-8(7)6-9/h3,5,9H,2,4,6H2,1H3
InChIKeyFIODRYFYSOSAFG-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.29
Rot. Bonds2

About (3-ethyl-4H-thiopyran-2-yl)methanol

(3-ethyl-4H-thiopyran-2-yl)methanol (PubChem CID 123493537) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (3-ethyl-4H-thiopyran-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-4H-thiopyran-2-yl)methanol
PubChem CID123493537
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(3-ethyl-4H-thiopyran-2-yl)methanol
SMILESCCC1=C(CO)SC=CC1
InChIInChI=1S/C8H12OS/c1-2-7-4-3-5-10-8(7)6-9/h3,5,9H,2,4,6H2,1H3
InChIKeyFIODRYFYSOSAFG-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
2-(Thian-4-ylidene)ethanol
CID 68829369
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
CID 88912397
2-methyl-3,6-dihydro-2H-thiopyran-6-ol
CID 89410051
3-ethyl-2-(methoxymethyl)-4H-thiopyran
CID 123442266
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
3-(6-Sulfanylcyclohexa-1,3-dien-1-yl)prop-2-en-1-ol
CID 123766485
1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
CID 123800446
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
CID 123978448
(E)-2-[(Z)-prop-1-enyl]sulfanylpent-2-en-1-ol
CID 143392763
(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol
CID 158690827

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4H-thiopyran-2-yl)methanol?
The IUPAC name of (3-ethyl-4H-thiopyran-2-yl)methanol (CID 123493537) is (3-ethyl-4H-thiopyran-2-yl)methanol.
What is the SMILES notation for (3-ethyl-4H-thiopyran-2-yl)methanol?
The canonical SMILES for (3-ethyl-4H-thiopyran-2-yl)methanol is CCC1=C(CO)SC=CC1.
What is the InChIKey of (3-ethyl-4H-thiopyran-2-yl)methanol?
The InChIKey is FIODRYFYSOSAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-7-4-3-5-10-8(7)6-9/h3,5,9H,2,4,6H2,1H3.
What are the key properties of (3-ethyl-4H-thiopyran-2-yl)methanol?
(3-ethyl-4H-thiopyran-2-yl)methanol has a molecular weight of 156.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4H-thiopyran-2-yl)methanol is sourced from PubChem (CID 123493537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).