1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol

C9H16OS — CID 115073542

IUPAC1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCC2CCSC2)CC1
InChIInChI=1S/C9H16OS/c10-9(4-5-9)3-1-8-2-6-11-7-8/h8,10H,1-7H2
InChIKeyWJUXCNONFNXQCN-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol

1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol (PubChem CID 115073542) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
PubChem CID115073542
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCC2CCSC2)CC1
InChIInChI=1S/C9H16OS/c10-9(4-5-9)3-1-8-2-6-11-7-8/h8,10H,1-7H2
InChIKeyWJUXCNONFNXQCN-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
CID 84650815
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
N-methyl-1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-amine
CID 84660283
1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
CID 106590452
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
CID 83906962
1-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol (CID 115073542) is 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol is OC1(CCC2CCSC2)CC1.
What is the InChIKey of 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol?
The InChIKey is WJUXCNONFNXQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c10-9(4-5-9)3-1-8-2-6-11-7-8/h8,10H,1-7H2.
What are the key properties of 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol?
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 115073542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).