(3-methyloxolan-3-yl)methanethiol

C6H12OS — CID 155973621

IUPAC(3-methyloxolan-3-yl)methanethiol
SMILESCC1(CS)CCOC1
InChIInChI=1S/C6H12OS/c1-6(5-8)2-3-7-4-6/h8H,2-5H2,1H3
InChIKeyWMMKIYNQZARYCG-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.34
Rot. Bonds1

About (3-methyloxolan-3-yl)methanethiol

(3-methyloxolan-3-yl)methanethiol (PubChem CID 155973621) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-methyloxolan-3-yl)methanethiol.

Molecular Properties

Compound Name(3-methyloxolan-3-yl)methanethiol
PubChem CID155973621
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(3-methyloxolan-3-yl)methanethiol
SMILESCC1(CS)CCOC1
InChIInChI=1S/C6H12OS/c1-6(5-8)2-3-7-4-6/h8H,2-5H2,1H3
InChIKeyWMMKIYNQZARYCG-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3-methyloxolan-3-yl)methanethiol 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

ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
4-(bromomethyl)-4-methyloxane
CID 64985111
(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
CID 170135732
(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
CID 177177757
[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
CID 130874622
2-methyl-N-[(3-methyloxolan-3-yl)methyl]oxolan-3-amine
CID 130626780
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-3-yl)methanethiol?
The IUPAC name of (3-methyloxolan-3-yl)methanethiol (CID 155973621) is (3-methyloxolan-3-yl)methanethiol.
What is the SMILES notation for (3-methyloxolan-3-yl)methanethiol?
The canonical SMILES for (3-methyloxolan-3-yl)methanethiol is CC1(CS)CCOC1.
What is the InChIKey of (3-methyloxolan-3-yl)methanethiol?
The InChIKey is WMMKIYNQZARYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(5-8)2-3-7-4-6/h8H,2-5H2,1H3.
What are the key properties of (3-methyloxolan-3-yl)methanethiol?
(3-methyloxolan-3-yl)methanethiol has a molecular weight of 132.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-3-yl)methanethiol is sourced from PubChem (CID 155973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).