1-[amino(sulfinato)amino]-4-methylbenzene

C7H9N2O2S- — CID 57217055

IUPAC1-[amino(sulfinato)amino]-4-methylbenzene
SMILESCc1ccc(N(N)S(=O)[O-])cc1
InChIInChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)9(8)12(10)11/h2-5H,8H2,1H3,(H,10,11)/p-1
InChIKeyZJTHBNNLJPDMML-UHFFFAOYSA-M
MW185.23 g/mol
LogP0.47
Rot. Bonds2

About 1-[amino(sulfinato)amino]-4-methylbenzene

1-[amino(sulfinato)amino]-4-methylbenzene (PubChem CID 57217055) has the molecular formula C7H9N2O2S- and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[amino(sulfinato)amino]-4-methylbenzene.

Molecular Properties

Compound Name1-[amino(sulfinato)amino]-4-methylbenzene
PubChem CID57217055
Molecular FormulaC7H9N2O2S-
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC Name1-[amino(sulfinato)amino]-4-methylbenzene
SMILESCc1ccc(N(N)S(=O)[O-])cc1
InChIInChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)9(8)12(10)11/h2-5H,8H2,1H3,(H,10,11)/p-1
InChIKeyZJTHBNNLJPDMML-UHFFFAOYSA-M
XLogP0.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p-Toluidine
CID 7813
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
(4-Methylphenyl)hydrazine
CID 10875
4-Methylphenylhydrazine monohydrochloride
CID 12504
1-Methyl-3-p-tolyltriazene
CID 30492
methylaminosulfotoluidide (IX)
CID 25044572
1-Ethyl-3-p-tolyltriazene
CID 98546
1-Azido-4-methylbenzene
CID 137430
o-Tolylhydrazine
CID 68256
m-Tolylhydrazine
CID 68308
Sulfamide, (4-methylphenyl)-(9CI)
CID 10313432
Benzenamine, 4-methyl-N-sulfinyl-
CID 139976

Frequently Asked Questions

What is the IUPAC name of 1-[amino(sulfinato)amino]-4-methylbenzene?
The IUPAC name of 1-[amino(sulfinato)amino]-4-methylbenzene (CID 57217055) is 1-[amino(sulfinato)amino]-4-methylbenzene.
What is the SMILES notation for 1-[amino(sulfinato)amino]-4-methylbenzene?
The canonical SMILES for 1-[amino(sulfinato)amino]-4-methylbenzene is Cc1ccc(N(N)S(=O)[O-])cc1.
What is the InChIKey of 1-[amino(sulfinato)amino]-4-methylbenzene?
The InChIKey is ZJTHBNNLJPDMML-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)9(8)12(10)11/h2-5H,8H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-[amino(sulfinato)amino]-4-methylbenzene?
1-[amino(sulfinato)amino]-4-methylbenzene has a molecular weight of 185.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(sulfinato)amino]-4-methylbenzene is sourced from PubChem (CID 57217055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).