methane;2-methylpropane;1,3-oxazolidine-2-thione

C8H19NOS — CID 158615181

IUPACmethane;2-methylpropane;1,3-oxazolidine-2-thione
SMILESC.CC(C)C.S=C1NCCO1
InChIInChI=1S/C4H10.C3H5NOS.CH4/c1-4(2)3;6-3-4-1-2-5-3;/h4H,1-3H3;1-2H2,(H,4,6);1H4
InChIKeyHXHMINQLTBLKEP-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.19
Rot. Bonds

About methane;2-methylpropane;1,3-oxazolidine-2-thione

methane;2-methylpropane;1,3-oxazolidine-2-thione (PubChem CID 158615181) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is methane;2-methylpropane;1,3-oxazolidine-2-thione.

Molecular Properties

Compound Namemethane;2-methylpropane;1,3-oxazolidine-2-thione
PubChem CID158615181
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Namemethane;2-methylpropane;1,3-oxazolidine-2-thione
SMILESC.CC(C)C.S=C1NCCO1
InChIInChI=1S/C4H10.C3H5NOS.CH4/c1-4(2)3;6-3-4-1-2-5-3;/h4H,1-3H3;1-2H2,(H,4,6);1H4
InChIKeyHXHMINQLTBLKEP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;2-methylpropane;1,3-oxazolidine-2-thione 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

(S)-4-Isopropyloxazolidine-2-thione
CID 7271926
4-Isopropyl-1,3-oxazolidine-2-thione
CID 3468453
(R)-4-Isopropyloxazolidine-2-thione
CID 16211136
Ethane;4-methyl-1,3-oxazolidine-2-thione
CID 54167321
2-Methylpropane;1,3-oxazolidine
CID 157920394
Ethane;1,3-oxazolidine-2-thione
CID 159725161
2-Methylpropane;1,3-oxazolidine-2-thione
CID 161151599
5-Propan-2-yl-1,3-oxazolidine-2-thione
CID 12642977

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropane;1,3-oxazolidine-2-thione?
The IUPAC name of methane;2-methylpropane;1,3-oxazolidine-2-thione (CID 158615181) is methane;2-methylpropane;1,3-oxazolidine-2-thione.
What is the SMILES notation for methane;2-methylpropane;1,3-oxazolidine-2-thione?
The canonical SMILES for methane;2-methylpropane;1,3-oxazolidine-2-thione is C.CC(C)C.S=C1NCCO1.
What is the InChIKey of methane;2-methylpropane;1,3-oxazolidine-2-thione?
The InChIKey is HXHMINQLTBLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H5NOS.CH4/c1-4(2)3;6-3-4-1-2-5-3;/h4H,1-3H3;1-2H2,(H,4,6);1H4.
What are the key properties of methane;2-methylpropane;1,3-oxazolidine-2-thione?
methane;2-methylpropane;1,3-oxazolidine-2-thione has a molecular weight of 177.31 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropane;1,3-oxazolidine-2-thione is sourced from PubChem (CID 158615181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).