1-(thian-3-ylmethyl)cyclobutan-1-ol

C10H18OS — CID 115073620

IUPAC1-(thian-3-ylmethyl)cyclobutan-1-ol
SMILESOC1(CC2CCCSC2)CCC1
InChIInChI=1S/C10H18OS/c11-10(4-2-5-10)7-9-3-1-6-12-8-9/h9,11H,1-8H2
InChIKeyFAZVIQQOBIBFPP-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.43
Rot. Bonds2

About 1-(thian-3-ylmethyl)cyclobutan-1-ol

1-(thian-3-ylmethyl)cyclobutan-1-ol (PubChem CID 115073620) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(thian-3-ylmethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(thian-3-ylmethyl)cyclobutan-1-ol
PubChem CID115073620
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-(thian-3-ylmethyl)cyclobutan-1-ol
SMILESOC1(CC2CCCSC2)CCC1
InChIInChI=1S/C10H18OS/c11-10(4-2-5-10)7-9-3-1-6-12-8-9/h9,11H,1-8H2
InChIKeyFAZVIQQOBIBFPP-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
thian-3-ylmethanethiol
CID 83678909
1-(piperidin-3-ylmethyl)cyclobutan-1-ol
CID 115071581
3-ethylthiepane
CID 58143173
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
thian-3-ylmethanesulfonamide
CID 115020407
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
1-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-ol
CID 115073598
1-(4-methylpiperazin-1-yl)-2-(thian-3-yl)ethanone
CID 110849812

Frequently Asked Questions

What is the IUPAC name of 1-(thian-3-ylmethyl)cyclobutan-1-ol?
The IUPAC name of 1-(thian-3-ylmethyl)cyclobutan-1-ol (CID 115073620) is 1-(thian-3-ylmethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(thian-3-ylmethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(thian-3-ylmethyl)cyclobutan-1-ol is OC1(CC2CCCSC2)CCC1.
What is the InChIKey of 1-(thian-3-ylmethyl)cyclobutan-1-ol?
The InChIKey is FAZVIQQOBIBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c11-10(4-2-5-10)7-9-3-1-6-12-8-9/h9,11H,1-8H2.
What are the key properties of 1-(thian-3-ylmethyl)cyclobutan-1-ol?
1-(thian-3-ylmethyl)cyclobutan-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-3-ylmethyl)cyclobutan-1-ol is sourced from PubChem (CID 115073620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).