4-(dimethylaminosulfanylamino)benzoic acid

C9H12N2O2S — CID 143243345

IUPAC4-(dimethylaminosulfanylamino)benzoic acid
SMILESCN(C)SNc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H12N2O2S/c1-11(2)14-10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyRUPFSONPTYASEN-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.92
Rot. Bonds4

About 4-(dimethylaminosulfanylamino)benzoic acid

4-(dimethylaminosulfanylamino)benzoic acid (PubChem CID 143243345) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(dimethylaminosulfanylamino)benzoic acid.

Molecular Properties

Compound Name4-(dimethylaminosulfanylamino)benzoic acid
PubChem CID143243345
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(dimethylaminosulfanylamino)benzoic acid
SMILESCN(C)SNc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H12N2O2S/c1-11(2)14-10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyRUPFSONPTYASEN-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(oxidoamino)benzoic acid
CID 54746218
azane;N,N-dimethylformamide;terephthalic acid
CID 174728158
zinc;oxygen(2-);terephthalic acid
CID 68542267
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
terephthalic acid
CID 160582437
4-(methoxyamino)benzoic acid
CID 58668568
acetic acid;terephthalic acid
CID 158530154
2,2-dimethyl-1-[4-(methylsulfanylamino)phenyl]propan-1-one
CID 142910674
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminosulfanylamino)benzoic acid?
The IUPAC name of 4-(dimethylaminosulfanylamino)benzoic acid (CID 143243345) is 4-(dimethylaminosulfanylamino)benzoic acid.
What is the SMILES notation for 4-(dimethylaminosulfanylamino)benzoic acid?
The canonical SMILES for 4-(dimethylaminosulfanylamino)benzoic acid is CN(C)SNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylaminosulfanylamino)benzoic acid?
The InChIKey is RUPFSONPTYASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11(2)14-10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13).
What are the key properties of 4-(dimethylaminosulfanylamino)benzoic acid?
4-(dimethylaminosulfanylamino)benzoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminosulfanylamino)benzoic acid is sourced from PubChem (CID 143243345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).