5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one

C10H10N2OS2 — CID 170541648

IUPAC5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one
SMILESCn1c(=O)ss/c1=N\Cc1ccccc1
InChIInChI=1S/C10H10N2OS2/c1-12-9(14-15-10(12)13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-9-
InChIKeyZRAUNOLJAOWPHS-LUAWRHEFSA-N
MW238.34 g/mol
LogP1.61
Rot. Bonds2

About 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one

5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one (PubChem CID 170541648) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one.

Molecular Properties

Compound Name5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one
PubChem CID170541648
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one
SMILESCn1c(=O)ss/c1=N\Cc1ccccc1
InChIInChI=1S/C10H10N2OS2/c1-12-9(14-15-10(12)13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-9-
InChIKeyZRAUNOLJAOWPHS-LUAWRHEFSA-N
XLogP1.61
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dibenzyl-5-benzylimino-1,2,4-thiadiazolidin-3-one
CID 12896086
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
methyl (2Z)-2-[2-benzylimino-3-[3-[(5Z)-2-benzylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139234613
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
2-benzylimino-3-[(4-fluorophenyl)methyl]-1,5-dimethylpyrimidin-4-one;ethane
CID 143774588
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
CID 135538834
5-(anthracen-9-ylmethylidene)-3-benzyl-2-benzylimino-1,3-thiazolidin-4-one
CID 3489358
methyl 2-benzylimino-3-[(E)-[(E)-but-2-enylidene]amino]-4-oxo-1,3-thiazine-6-carboxylate
CID 139218518
(5Z)-2-benzylimino-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
CID 3093947
(3Z)-1-benzyl-3-(2-benzyl-4-methyl-3-oxo-1,2,4-thiadiazolidin-5-ylidene)urea
CID 15733523
(4Z)-4-benzylidene-5-benzyliminoimidazolidin-2-one
CID 135604884
N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide
CID 53347499

Frequently Asked Questions

What is the IUPAC name of 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one?
The IUPAC name of 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one (CID 170541648) is 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one.
What is the SMILES notation for 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one?
The canonical SMILES for 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one is Cn1c(=O)ss/c1=N\Cc1ccccc1.
What is the InChIKey of 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one?
The InChIKey is ZRAUNOLJAOWPHS-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-12-9(14-15-10(12)13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b11-9-.
What are the key properties of 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one?
5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one has a molecular weight of 238.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylimino-4-methyl-1,2,4-dithiazolidin-3-one is sourced from PubChem (CID 170541648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).