1-cyclopropyl-3-phenylsulfanylpropan-2-ol

C12H16OS — CID 65142399

IUPAC1-cyclopropyl-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CC1CC1
InChIInChI=1S/C12H16OS/c13-11(8-10-6-7-10)9-14-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyLKCNEAXGERCPJT-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.94
Rot. Bonds5

About 1-cyclopropyl-3-phenylsulfanylpropan-2-ol

1-cyclopropyl-3-phenylsulfanylpropan-2-ol (PubChem CID 65142399) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-phenylsulfanylpropan-2-ol
PubChem CID65142399
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-cyclopropyl-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CC1CC1
InChIInChI=1S/C12H16OS/c13-11(8-10-6-7-10)9-14-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyLKCNEAXGERCPJT-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylsulfanylpropan-2-ol
CID 66419569
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
(E,5S)-6-phenylsulfanylhex-2-ene-1,5-diol
CID 10977115
cyclopropylmethylsulfanylbenzene
CID 579222

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-cyclopropyl-3-phenylsulfanylpropan-2-ol (CID 65142399) is 1-cyclopropyl-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-phenylsulfanylpropan-2-ol?
The InChIKey is LKCNEAXGERCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-11(8-10-6-7-10)9-14-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2.
What are the key properties of 1-cyclopropyl-3-phenylsulfanylpropan-2-ol?
1-cyclopropyl-3-phenylsulfanylpropan-2-ol has a molecular weight of 208.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65142399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).