3-cyclopentyl-4,4-dimethylthian-3-ol

C12H22OS — CID 79955805

IUPAC3-cyclopentyl-4,4-dimethylthian-3-ol
SMILESCC1(C)CCSCC1(O)C1CCCC1
InChIInChI=1S/C12H22OS/c1-11(2)7-8-14-9-12(11,13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3
InChIKeyNASVCKXLRKDBOR-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.07
Rot. Bonds1

About 3-cyclopentyl-4,4-dimethylthian-3-ol

3-cyclopentyl-4,4-dimethylthian-3-ol (PubChem CID 79955805) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 3-cyclopentyl-4,4-dimethylthian-3-ol.

Molecular Properties

Compound Name3-cyclopentyl-4,4-dimethylthian-3-ol
PubChem CID79955805
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name3-cyclopentyl-4,4-dimethylthian-3-ol
SMILESCC1(C)CCSCC1(O)C1CCCC1
InChIInChI=1S/C12H22OS/c1-11(2)7-8-14-9-12(11,13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3
InChIKeyNASVCKXLRKDBOR-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylcyclohexyl)-4,4-dimethylthian-3-ol
CID 79956343
1-cyclobutyl-2,2-dimethylcyclobutan-1-ol
CID 130554912
1-cyclopentyl-2,2-dimethylcyclobutan-1-ol
CID 130554936
3-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylthian-3-ol
CID 79955993
3-cycloheptyl-5,5-dimethylthian-3-ol
CID 82928190
4-cyclopentyl-3,3-dimethylpiperidin-4-ol
CID 130490194
[3-(cyclohexylamino)-4,4-dimethylthian-3-yl]methanol
CID 79956348
3-ethynyl-4,4-dimethylthian-3-ol
CID 79955720
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79913520
3-cyclohexyl-2,2-dimethylpyrrolidin-3-ol
CID 83686187
3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
CID 171814964
4,4-dimethyl-3-[3-(oxolan-2-yl)propyl]thian-3-ol
CID 79955990

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4,4-dimethylthian-3-ol?
The IUPAC name of 3-cyclopentyl-4,4-dimethylthian-3-ol (CID 79955805) is 3-cyclopentyl-4,4-dimethylthian-3-ol.
What is the SMILES notation for 3-cyclopentyl-4,4-dimethylthian-3-ol?
The canonical SMILES for 3-cyclopentyl-4,4-dimethylthian-3-ol is CC1(C)CCSCC1(O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4,4-dimethylthian-3-ol?
The InChIKey is NASVCKXLRKDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-11(2)7-8-14-9-12(11,13)10-5-3-4-6-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-cyclopentyl-4,4-dimethylthian-3-ol?
3-cyclopentyl-4,4-dimethylthian-3-ol has a molecular weight of 214.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4,4-dimethylthian-3-ol is sourced from PubChem (CID 79955805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).