1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol

C9H16OS — CID 10103623

IUPAC1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1=CCCCS1
InChIInChI=1S/C9H16OS/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyPZHDPQQXLCGGDW-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.41
Rot. Bonds2

About 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol

1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol (PubChem CID 10103623) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
PubChem CID10103623
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1=CCCCS1
InChIInChI=1S/C9H16OS/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyPZHDPQQXLCGGDW-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(e)-1-(2-Methyl-1,3-dithian-2-yl)hex-2-en-1-ol
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CID 13263785
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
4-Methyl-5-propan-2-ylsulfanylpent-1-en-3-ol
CID 53848935
(E,4S)-7-propylsulfanylhept-2-en-4-ol
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(3Z)-3-ethylidenethian-4-ol
CID 68033469
2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
5-Butan-2-ylsulfanyl-4-methylpent-1-en-3-ol
CID 88832079
(2,3-Dimethyl-2,3-dihydrothiophen-5-yl)methanol
CID 90956335
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
3-(4-Methylhex-2-en-3-ylsulfanyl)propane-1,2-diol
CID 123526385
1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
CID 123800446

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol (CID 10103623) is 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol is CC(C)C(O)C1=CCCCS1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol?
The InChIKey is PZHDPQQXLCGGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7(2)9(10)8-5-3-4-6-11-8/h5,7,9-10H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol?
1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 10103623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).