(3-methylthietan-3-yl)methanol

C5H10OS — CID 15773547

IUPAC(3-methylthietan-3-yl)methanol
SMILESCC1(CO)CSC1
InChIInChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKeyDGKBZCVRJYWBAE-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.73
Rot. Bonds1

About (3-methylthietan-3-yl)methanol

(3-methylthietan-3-yl)methanol (PubChem CID 15773547) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (3-methylthietan-3-yl)methanol.

Molecular Properties

Compound Name(3-methylthietan-3-yl)methanol
PubChem CID15773547
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(3-methylthietan-3-yl)methanol
SMILESCC1(CO)CSC1
InChIInChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKeyDGKBZCVRJYWBAE-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylthietan-3-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylthietan-3-yl)methanol?
The IUPAC name of (3-methylthietan-3-yl)methanol (CID 15773547) is (3-methylthietan-3-yl)methanol.
What is the SMILES notation for (3-methylthietan-3-yl)methanol?
The canonical SMILES for (3-methylthietan-3-yl)methanol is CC1(CO)CSC1.
What is the InChIKey of (3-methylthietan-3-yl)methanol?
The InChIKey is DGKBZCVRJYWBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3.
What are the key properties of (3-methylthietan-3-yl)methanol?
(3-methylthietan-3-yl)methanol has a molecular weight of 118.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthietan-3-yl)methanol is sourced from PubChem (CID 15773547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).