4-propan-2-yl-1,3-oxazolidine-2-thione

C6H11NOS — CID 3468453

IUPAC4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCC(C)C1COC(=S)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyCIRDXQWBLPPFPN-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.92
Rot. Bonds1

About 4-propan-2-yl-1,3-oxazolidine-2-thione

4-propan-2-yl-1,3-oxazolidine-2-thione (PubChem CID 3468453) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazolidine-2-thione
PubChem CID3468453
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name4-propan-2-yl-1,3-oxazolidine-2-thione
SMILESCC(C)C1COC(=S)N1
InChIInChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyCIRDXQWBLPPFPN-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.92
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

ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidine
CID 15368063
4-hydroxy-1,3-oxazolidine-2-thione
CID 87148419
trimethyl-[(5E)-5-(4-propan-2-yl-1,3-oxazolidin-2-ylidene)cyclopenta-1,3-dien-1-yl]silane
CID 135039296
(5S,14S)-5,14-di(propan-2-yl)-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11167500
6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230354
(4aS,8aS)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazine-2-thione
CID 131144176
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
CID 10797303
5-methyl-1,3-oxazinane-2-thione
CID 143100001
(3S,6S)-6-amino-3-propan-2-yl-1,4-oxazocan-5-one
CID 131123001

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazolidine-2-thione?
The IUPAC name of 4-propan-2-yl-1,3-oxazolidine-2-thione (CID 3468453) is 4-propan-2-yl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-propan-2-yl-1,3-oxazolidine-2-thione is CC(C)C1COC(=S)N1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazolidine-2-thione?
The InChIKey is CIRDXQWBLPPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9).
What are the key properties of 4-propan-2-yl-1,3-oxazolidine-2-thione?
4-propan-2-yl-1,3-oxazolidine-2-thione has a molecular weight of 145.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 3468453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).