3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol

C9H16O2S — CID 165443833

IUPAC3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol
SMILESOCC1(C2(O)CCCSC2)CC1
InChIInChI=1S/C9H16O2S/c10-6-8(3-4-8)9(11)2-1-5-12-7-9/h10-11H,1-7H2
InChIKeyQJDMCTXLZLWKTO-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.02
Rot. Bonds2

About 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol

3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol (PubChem CID 165443833) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol
PubChem CID165443833
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol
SMILESOCC1(C2(O)CCCSC2)CC1
InChIInChI=1S/C9H16O2S/c10-6-8(3-4-8)9(11)2-1-5-12-7-9/h10-11H,1-7H2
InChIKeyQJDMCTXLZLWKTO-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(hydroxymethyl)cyclopropyl]cyclopentan-1-ol
CID 165442160
(7-methyl-3,11,14-trithiabicyclo[5.5.5]heptadecan-1-yl)methanol
CID 100992275
[3-(methylamino)thian-3-yl]methanol
CID 62872215
(3-ethylthiolan-3-yl)methanol
CID 146230443
[3-(propan-2-ylamino)thian-3-yl]methanol
CID 62872201
[1-(chloromethyl)cyclopropyl]methanol
CID 12920386
2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
CID 79366891
(3R)-3-phenylthian-3-ol
CID 124510207
8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
CID 86222995
[4-(aminomethyl)thian-4-yl]methanol
CID 68970829
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(3R)-3-[(R)-hydroxy(phenyl)methyl]thian-3-ol
CID 102002214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol (CID 165443833) is 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol is OCC1(C2(O)CCCSC2)CC1.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol?
The InChIKey is QJDMCTXLZLWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c10-6-8(3-4-8)9(11)2-1-5-12-7-9/h10-11H,1-7H2.
What are the key properties of 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol?
3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol has a molecular weight of 188.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopropyl]thian-3-ol is sourced from PubChem (CID 165443833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).