ethane;1,3-oxazolidine-2-thione

C7H17NOS — CID 159725161

IUPACethane;1,3-oxazolidine-2-thione
SMILESCC.CC.S=C1NCCO1
InChIInChI=1S/C3H5NOS.2C2H6/c6-3-4-1-2-5-3;2*1-2/h1-2H2,(H,4,6);2*1-2H3
InChIKeyNANPVUMPYRIRPS-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.94
Rot. Bonds

About ethane;1,3-oxazolidine-2-thione

ethane;1,3-oxazolidine-2-thione (PubChem CID 159725161) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;1,3-oxazolidine-2-thione.

Molecular Properties

Compound Nameethane;1,3-oxazolidine-2-thione
PubChem CID159725161
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nameethane;1,3-oxazolidine-2-thione
SMILESCC.CC.S=C1NCCO1
InChIInChI=1S/C3H5NOS.2C2H6/c6-3-4-1-2-5-3;2*1-2/h1-2H2,(H,4,6);2*1-2H3
InChIKeyNANPVUMPYRIRPS-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;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

2-Oxazolidinethione
CID 2733223
4-Ethyl-2-oxazolidinethione
CID 3006141
5-Methyl-1,3-oxazolidine-2-thione
CID 3258601
2-Oxazolidinethione, 4-methyl-
CID 3037499
Sisaustricin
CID 15317336
(4S)-4-Ethyl-1,3-oxazolidine-2-thione
CID 58598215
(4S)-4-methyl-1,3-oxazolidine-2-thione
CID 101003960
5-Ethyl-1,3-oxazolidine-2-thione
CID 12642976
Trimethyl-[2-(methylcarbamothioyloxy)ethyl]azanium
CID 18341873
1,3-Oxazolidine-4-thione
CID 22999678
Ethane;4-methyl-1,3-oxazolidine-2-thione
CID 54167321
(5R)-5-Methyl-2-oxazolidinethione
CID 55300698

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-oxazolidine-2-thione?
The IUPAC name of ethane;1,3-oxazolidine-2-thione (CID 159725161) is ethane;1,3-oxazolidine-2-thione.
What is the SMILES notation for ethane;1,3-oxazolidine-2-thione?
The canonical SMILES for ethane;1,3-oxazolidine-2-thione is CC.CC.S=C1NCCO1.
What is the InChIKey of ethane;1,3-oxazolidine-2-thione?
The InChIKey is NANPVUMPYRIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS.2C2H6/c6-3-4-1-2-5-3;2*1-2/h1-2H2,(H,4,6);2*1-2H3.
What are the key properties of ethane;1,3-oxazolidine-2-thione?
ethane;1,3-oxazolidine-2-thione has a molecular weight of 163.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-oxazolidine-2-thione is sourced from PubChem (CID 159725161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).