1-(thietan-3-ylmethyl)cyclopropan-1-ol

C7H12OS — CID 84648985

IUPAC1-(thietan-3-ylmethyl)cyclopropan-1-ol
SMILESOC1(CC2CSC2)CC1
InChIInChI=1S/C7H12OS/c8-7(1-2-7)3-6-4-9-5-6/h6,8H,1-5H2
InChIKeyLGXFWDCQWNMNCW-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.26
Rot. Bonds2

About 1-(thietan-3-ylmethyl)cyclopropan-1-ol

1-(thietan-3-ylmethyl)cyclopropan-1-ol (PubChem CID 84648985) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-(thietan-3-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(thietan-3-ylmethyl)cyclopropan-1-ol
PubChem CID84648985
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-(thietan-3-ylmethyl)cyclopropan-1-ol
SMILESOC1(CC2CSC2)CC1
InChIInChI=1S/C7H12OS/c8-7(1-2-7)3-6-4-9-5-6/h6,8H,1-5H2
InChIKeyLGXFWDCQWNMNCW-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.26
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-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
CID 84778007
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
CID 114819637
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
1-[4-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 177354667
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexan-1-ol
CID 170951892
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908

Frequently Asked Questions

What is the IUPAC name of 1-(thietan-3-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(thietan-3-ylmethyl)cyclopropan-1-ol (CID 84648985) is 1-(thietan-3-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(thietan-3-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(thietan-3-ylmethyl)cyclopropan-1-ol is OC1(CC2CSC2)CC1.
What is the InChIKey of 1-(thietan-3-ylmethyl)cyclopropan-1-ol?
The InChIKey is LGXFWDCQWNMNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c8-7(1-2-7)3-6-4-9-5-6/h6,8H,1-5H2.
What are the key properties of 1-(thietan-3-ylmethyl)cyclopropan-1-ol?
1-(thietan-3-ylmethyl)cyclopropan-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thietan-3-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 84648985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).