1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol

C10H10O2S — CID 117284718

IUPAC1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)OCS3)CC1
InChIInChI=1S/C10H10O2S/c11-10(3-4-10)7-1-2-9-8(5-7)12-6-13-9/h1-2,5,11H,3-4,6H2
InChIKeyXJYJNUCKVZSLAS-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.11
Rot. Bonds1

About 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol

1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol (PubChem CID 117284718) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol
PubChem CID117284718
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)OCS3)CC1
InChIInChI=1S/C10H10O2S/c11-10(3-4-10)7-1-2-9-8(5-7)12-6-13-9/h1-2,5,11H,3-4,6H2
InChIKeyXJYJNUCKVZSLAS-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropan-1-ol
CID 117295221
2-(1,3-benzoxathiol-6-yl)propan-2-ol
CID 84667074
1-(1,3-benzoxathiol-5-yl)cyclopropane-1-carboxylic acid
CID 117318038
1-(1,3-benzoxathiol-5-yl)cyclohexane-1-carboxylic acid
CID 117415520
[1-(1,3-benzoxathiol-5-yl)cyclobutyl]methanamine
CID 117316953
1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117302411
1-[4-chloro-3-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117117417
1-(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)cyclopropan-1-ol
CID 117354801
1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol
CID 117282461
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol (CID 117284718) is 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol is OC1(c2ccc3c(c2)OCS3)CC1.
What is the InChIKey of 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol?
The InChIKey is XJYJNUCKVZSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-10(3-4-10)7-1-2-9-8(5-7)12-6-13-9/h1-2,5,11H,3-4,6H2.
What are the key properties of 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol?
1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol has a molecular weight of 194.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxathiol-6-yl)cyclopropan-1-ol is sourced from PubChem (CID 117284718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).