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

C7H15NOS — CID 161151599

IUPAC2-methylpropane;1,3-oxazolidine-2-thione
SMILESCC(C)C.S=C1NCCO1
InChIInChI=1S/C4H10.C3H5NOS/c1-4(2)3;6-3-4-1-2-5-3/h4H,1-3H3;1-2H2,(H,4,6)
InChIKeyUOTFNBUQZIOOAS-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.55
Rot. Bonds

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

2-methylpropane;1,3-oxazolidine-2-thione (PubChem CID 161151599) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-methylpropane;1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name2-methylpropane;1,3-oxazolidine-2-thione
PubChem CID161151599
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-methylpropane;1,3-oxazolidine-2-thione
SMILESCC(C)C.S=C1NCCO1
InChIInChI=1S/C4H10.C3H5NOS/c1-4(2)3;6-3-4-1-2-5-3/h4H,1-3H3;1-2H2,(H,4,6)
InChIKeyUOTFNBUQZIOOAS-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.55
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

2-Oxazolidinethione
CID 2733223
4-Ethyl-2-oxazolidinethione
CID 3006141
5-Methyl-1,3-oxazolidine-2-thione
CID 3258601
Carbamothioic acid, N-ethyl-, O-(2-methylpropyl) ester
CID 3034831
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
5-Ethyl-1,3-oxazolidine-2-thione
CID 12642976
(R)-4-Isopropyloxazolidine-2-thione
CID 16211136

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1,3-oxazolidine-2-thione?
The IUPAC name of 2-methylpropane;1,3-oxazolidine-2-thione (CID 161151599) is 2-methylpropane;1,3-oxazolidine-2-thione.
What is the SMILES notation for 2-methylpropane;1,3-oxazolidine-2-thione?
The canonical SMILES for 2-methylpropane;1,3-oxazolidine-2-thione is CC(C)C.S=C1NCCO1.
What is the InChIKey of 2-methylpropane;1,3-oxazolidine-2-thione?
The InChIKey is UOTFNBUQZIOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H5NOS/c1-4(2)3;6-3-4-1-2-5-3/h4H,1-3H3;1-2H2,(H,4,6).
What are the key properties of 2-methylpropane;1,3-oxazolidine-2-thione?
2-methylpropane;1,3-oxazolidine-2-thione has a molecular weight of 161.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1,3-oxazolidine-2-thione is sourced from PubChem (CID 161151599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).