thian-2-ol

C5H10OS — CID 14959631

IUPACthian-2-ol
SMILESOC1CCCCS1
InChIInChI=1S/C5H10OS/c6-5-3-1-2-4-7-5/h5-6H,1-4H2
InChIKeyLYNLMSYCBSCQEF-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.22
Rot. Bonds

About thian-2-ol

thian-2-ol (PubChem CID 14959631) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is thian-2-ol.

Molecular Properties

Compound Namethian-2-ol
PubChem CID14959631
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Namethian-2-ol
SMILESOC1CCCCS1
InChIInChI=1S/C5H10OS/c6-5-3-1-2-4-7-5/h5-6H,1-4H2
InChIKeyLYNLMSYCBSCQEF-UHFFFAOYSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
Tetrahydro-2H-thiopyran-4-ol
CID 576296
4-(Hydroxymethyl)tetrahydro-2H-thiopyran
CID 20143654
(Thian-2-yl)methanol
CID 70090209
Thiolan-2-ylmethanol
CID 22395729
5-(Methylsulfanyl)pentan-1-ol
CID 12272140
(Thian-3-yl)methanol
CID 21959000
3-(1,3-Dithian-2-yl)propan-1-ol
CID 10866916
1,3-Dithiane-2-butanol
CID 12233632
2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
1,4-Dithiane-2-methanol
CID 14743130
2-[(Tetrahydropyran-2-yl)thio]ethanol
CID 15238321

Frequently Asked Questions

What is the IUPAC name of thian-2-ol?
The IUPAC name of thian-2-ol (CID 14959631) is thian-2-ol.
What is the SMILES notation for thian-2-ol?
The canonical SMILES for thian-2-ol is OC1CCCCS1.
What is the InChIKey of thian-2-ol?
The InChIKey is LYNLMSYCBSCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-5-3-1-2-4-7-5/h5-6H,1-4H2.
What are the key properties of thian-2-ol?
thian-2-ol has a molecular weight of 118.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-ol is sourced from PubChem (CID 14959631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).