ethane;4-methyl-1,3-oxazolidine-2-thione

C8H19NOS — CID 54167321

IUPACethane;4-methyl-1,3-oxazolidine-2-thione
SMILESCC.CC.CC1COC(=S)N1
InChIInChI=1S/C4H7NOS.2C2H6/c1-3-2-6-4(7)5-3;2*1-2/h3H,2H2,1H3,(H,5,7);2*1-2H3
InChIKeyOSOFWDBNLOMRJU-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.33
Rot. Bonds

About ethane;4-methyl-1,3-oxazolidine-2-thione

ethane;4-methyl-1,3-oxazolidine-2-thione (PubChem CID 54167321) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;4-methyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Nameethane;4-methyl-1,3-oxazolidine-2-thione
PubChem CID54167321
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;4-methyl-1,3-oxazolidine-2-thione
SMILESCC.CC.CC1COC(=S)N1
InChIInChI=1S/C4H7NOS.2C2H6/c1-3-2-6-4(7)5-3;2*1-2/h3H,2H2,1H3,(H,5,7);2*1-2H3
InChIKeyOSOFWDBNLOMRJU-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-2-oxazolidinethione
CID 3006141
2-Oxazolidinethione, 4-methyl-
CID 3037499
(S)-4-Isopropyloxazolidine-2-thione
CID 7271926
Sisaustricin
CID 15317336
(4S)-4-Ethyl-1,3-oxazolidine-2-thione
CID 58598215
4-Isopropyl-1,3-oxazolidine-2-thione
CID 3468453
(4S)-4-methyl-1,3-oxazolidine-2-thione
CID 101003960
(R)-4-Isopropyloxazolidine-2-thione
CID 16211136
4,5-Dimethyl-1,3-oxazolidine-2-thione
CID 22414320
(4R,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 53958675
(4R,5R)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 53958676
(4S,5S)-4,5-dimethyl-1,3-oxazolidine-2-thione
CID 55300849

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,3-oxazolidine-2-thione?
The IUPAC name of ethane;4-methyl-1,3-oxazolidine-2-thione (CID 54167321) is ethane;4-methyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for ethane;4-methyl-1,3-oxazolidine-2-thione?
The canonical SMILES for ethane;4-methyl-1,3-oxazolidine-2-thione is CC.CC.CC1COC(=S)N1.
What is the InChIKey of ethane;4-methyl-1,3-oxazolidine-2-thione?
The InChIKey is OSOFWDBNLOMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.2C2H6/c1-3-2-6-4(7)5-3;2*1-2/h3H,2H2,1H3,(H,5,7);2*1-2H3.
What are the key properties of ethane;4-methyl-1,3-oxazolidine-2-thione?
ethane;4-methyl-1,3-oxazolidine-2-thione has a molecular weight of 177.31 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 54167321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).