5-phenylsulfanyl-1,2,4-dithiazol-3-one

C8H5NOS3 — CID 102346114

IUPAC5-phenylsulfanyl-1,2,4-dithiazol-3-one
SMILESO=c1nc(Sc2ccccc2)ss1
InChIInChI=1S/C8H5NOS3/c10-7-9-8(13-12-7)11-6-4-2-1-3-5-6/h1-5H
InChIKeyIEZOMXNLSLVZSH-UHFFFAOYSA-N
MW227.34 g/mol
LogP2.72
Rot. Bonds2

About 5-phenylsulfanyl-1,2,4-dithiazol-3-one

5-phenylsulfanyl-1,2,4-dithiazol-3-one (PubChem CID 102346114) has the molecular formula C8H5NOS3 and a molecular weight of 227.34 g/mol. Its IUPAC name is 5-phenylsulfanyl-1,2,4-dithiazol-3-one.

Molecular Properties

Compound Name5-phenylsulfanyl-1,2,4-dithiazol-3-one
PubChem CID102346114
Molecular FormulaC8H5NOS3
Molecular Weight227.34 g/mol
Exact Mass226.95
IUPAC Name5-phenylsulfanyl-1,2,4-dithiazol-3-one
SMILESO=c1nc(Sc2ccccc2)ss1
InChIInChI=1S/C8H5NOS3/c10-7-9-8(13-12-7)11-6-4-2-1-3-5-6/h1-5H
InChIKeyIEZOMXNLSLVZSH-UHFFFAOYSA-N
XLogP2.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-1,3-thiazole
CID 606073
4,5-bis(phenylsulfanyl)imidazol-2-one
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4-chloro-2-phenylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 1477244
CID 66690055
CID 66690055
2-phenylsulfanyl-1,3-thiazole-5-carboxylic acid
CID 22350426
2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine
CID 58600041
phenylsulfanylbenzene;urea
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5-(chloromethyl)-2-phenylsulfanyl-1,3-thiazole
CID 138593629
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
methoxymethane;phenylsulfanylbenzene
CID 175087336
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
dichlororuthenium;phenylsulfanylbenzene
CID 18541858

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1,2,4-dithiazol-3-one?
The IUPAC name of 5-phenylsulfanyl-1,2,4-dithiazol-3-one (CID 102346114) is 5-phenylsulfanyl-1,2,4-dithiazol-3-one.
What is the SMILES notation for 5-phenylsulfanyl-1,2,4-dithiazol-3-one?
The canonical SMILES for 5-phenylsulfanyl-1,2,4-dithiazol-3-one is O=c1nc(Sc2ccccc2)ss1.
What is the InChIKey of 5-phenylsulfanyl-1,2,4-dithiazol-3-one?
The InChIKey is IEZOMXNLSLVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS3/c10-7-9-8(13-12-7)11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-phenylsulfanyl-1,2,4-dithiazol-3-one?
5-phenylsulfanyl-1,2,4-dithiazol-3-one has a molecular weight of 227.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1,2,4-dithiazol-3-one is sourced from PubChem (CID 102346114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).