1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol

C9H14OS — CID 91074785

IUPAC1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol
SMILESC=S1(C)=C(C(C)O)C=CC=C1
InChIInChI=1S/C9H14OS/c1-8(10)9-6-4-5-7-11(9,2)3/h4-8,10H,2H2,1,3H3
InChIKeyWLDRGSDJMMWMSN-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.49
Rot. Bonds1

About 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol

1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol (PubChem CID 91074785) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol
PubChem CID91074785
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol
SMILESC=S1(C)=C(C(C)O)C=CC=C1
InChIInChI=1S/C9H14OS/c1-8(10)9-6-4-5-7-11(9,2)3/h4-8,10H,2H2,1,3H3
InChIKeyWLDRGSDJMMWMSN-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
CID 11040823
1-(4H-thiopyran-2-yl)butan-2-ol
CID 143415176
(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
CID 143683535
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562
6-Methylsulfanylcyclohexa-2,4-dien-1-ol
CID 21721446
(1S)-1-(2H-thiopyran-2-yl)but-3-en-1-ol
CID 102076857

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol?
The IUPAC name of 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol (CID 91074785) is 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol.
What is the SMILES notation for 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol?
The canonical SMILES for 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol is C=S1(C)=C(C(C)O)C=CC=C1.
What is the InChIKey of 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol?
The InChIKey is WLDRGSDJMMWMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-8(10)9-6-4-5-7-11(9,2)3/h4-8,10H,2H2,1,3H3.
What are the key properties of 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol?
1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol has a molecular weight of 170.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-1-methylidenethiopyran-2-yl)ethanol is sourced from PubChem (CID 91074785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).