N'-phenylmethanesulfinohydrazide

C7H10N2OS — CID 141009109

IUPACN'-phenylmethanesulfinohydrazide
SMILESCS(=O)NNc1ccccc1
InChIInChI=1S/C7H10N2OS/c1-11(10)9-8-7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyYPJBOIYSIAAGSK-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.90
Rot. Bonds3

About N'-phenylmethanesulfinohydrazide

N'-phenylmethanesulfinohydrazide (PubChem CID 141009109) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N'-phenylmethanesulfinohydrazide.

Molecular Properties

Compound NameN'-phenylmethanesulfinohydrazide
PubChem CID141009109
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN'-phenylmethanesulfinohydrazide
SMILESCS(=O)NNc1ccccc1
InChIInChI=1S/C7H10N2OS/c1-11(10)9-8-7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyYPJBOIYSIAAGSK-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
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1,2-diphenylhydrazine;hydrazine
CID 161098943
4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 100976473
(R)-N-phenylprop-1-yne-1-sulfinamide
CID 40532337
(2-aminohydrazinyl)benzene
CID 19858111
benzaldehyde;1,2-diphenylhydrazine
CID 159261806
methylsulfinylmethane;phenol
CID 70282164
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
1-(2,6-diethylphenyl)-2-phenylhydrazine
CID 19899251
1-anilino-3-methylurea;ethane
CID 143768639
2-(2-phenylhydrazinyl)propanoic acid
CID 77247806

Frequently Asked Questions

What is the IUPAC name of N'-phenylmethanesulfinohydrazide?
The IUPAC name of N'-phenylmethanesulfinohydrazide (CID 141009109) is N'-phenylmethanesulfinohydrazide.
What is the SMILES notation for N'-phenylmethanesulfinohydrazide?
The canonical SMILES for N'-phenylmethanesulfinohydrazide is CS(=O)NNc1ccccc1.
What is the InChIKey of N'-phenylmethanesulfinohydrazide?
The InChIKey is YPJBOIYSIAAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-11(10)9-8-7-5-3-2-4-6-7/h2-6,8-9H,1H3.
What are the key properties of N'-phenylmethanesulfinohydrazide?
N'-phenylmethanesulfinohydrazide has a molecular weight of 170.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylmethanesulfinohydrazide is sourced from PubChem (CID 141009109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).