1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol

C9H14OS — CID 123800446

IUPAC1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
SMILESCC1=C(C(C)O)SC=CC1C
InChIInChI=1S/C9H14OS/c1-6-4-5-11-9(7(6)2)8(3)10/h4-6,8,10H,1-3H3
InChIKeyHGXIIWMZFYBXPL-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.54
Rot. Bonds1

About 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol

1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol (PubChem CID 123800446) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
PubChem CID123800446
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
SMILESCC1=C(C(C)O)SC=CC1C
InChIInChI=1S/C9H14OS/c1-6-4-5-11-9(7(6)2)8(3)10/h4-6,8,10H,1-3H3
InChIKeyHGXIIWMZFYBXPL-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
(3-ethyl-4H-thiopyran-2-yl)methanol
CID 123493537
(Z)-3-(methylsulfanylmethyl)pent-3-en-2-ol
CID 141892180
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562
(5Z)-3-butylsulfanyl-7-methylocta-1,5-dien-4-ol
CID 166812762
1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
CID 10103623
(E,2R,5S)-6,6-dimethyl-5-methylsulfanylhept-3-en-2-ol
CID 11159783
(E,2R,5R)-6-methyl-5-methylsulfanylhept-3-en-2-ol
CID 11321254
5-Methyl-1-(methylsulfanyl)hex-4-en-3-ol
CID 79190464
(1Z)-1-(thian-3-ylidene)propan-2-ol
CID 103971040
4-Methyl-1-methylsulfanylpent-3-en-2-ol
CID 105110334
(E)-4-(thiolan-3-yl)but-3-en-2-ol
CID 107133946

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol (CID 123800446) is 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol is CC1=C(C(C)O)SC=CC1C.
What is the InChIKey of 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol?
The InChIKey is HGXIIWMZFYBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-6-4-5-11-9(7(6)2)8(3)10/h4-6,8,10H,1-3H3.
What are the key properties of 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol?
1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol has a molecular weight of 170.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol is sourced from PubChem (CID 123800446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).