3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine

C10H12N2OS — CID 56986971

IUPAC3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine
SMILES[H]/N=C1\CONC1Sc1ccc(C)cc1
InChIInChI=1S/C10H12N2OS/c1-7-2-4-8(5-3-7)14-10-9(11)6-13-12-10/h2-5,10-12H,6H2,1H3/b11-9+
InChIKeyOBQFJMKEQZSCSO-PKNBQFBNSA-N
MW208.29 g/mol
LogP1.97
Rot. Bonds2

About 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine

3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine (PubChem CID 56986971) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine
PubChem CID56986971
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine
SMILES[H]/N=C1\CONC1Sc1ccc(C)cc1
InChIInChI=1S/C10H12N2OS/c1-7-2-4-8(5-3-7)14-10-9(11)6-13-12-10/h2-5,10-12H,6H2,1H3/b11-9+
InChIKeyOBQFJMKEQZSCSO-PKNBQFBNSA-N
XLogP1.97
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 12836423
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CID 138059061
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
[(1S,2R,4R,5S)-4-(4-methylphenyl)sulfanyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10857526
[(1R,2R,4S,5R)-4-(4-methylphenyl)sulfanyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11253400
(4-methylphenyl) methanimidothioate
CID 89431123
7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 86020256
trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 86222717
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 21235101
4-(4-methylphenyl)sulfanylcyclohexan-1-one
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3-(4-methylphenyl)sulfanylazepane
CID 79019900

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine (CID 56986971) is 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine is [H]/N=C1\CONC1Sc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine?
The InChIKey is OBQFJMKEQZSCSO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-2-4-8(5-3-7)14-10-9(11)6-13-12-10/h2-5,10-12H,6H2,1H3/b11-9+.
What are the key properties of 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine?
3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine has a molecular weight of 208.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-1,2-oxazolidin-4-imine is sourced from PubChem (CID 56986971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).