Home Aminos 4-amino-3-(methylsulfanyl)benzoic acid hydrochloride

4-amino-3-(methylsulfanyl)benzoic acid hydrochloride

CAS No.:
1049711-81-0
Catalog Number:
AG019PMJ
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
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Product Description
Catalog Number:
AG019PMJ
Chemical Name:
4-amino-3-(methylsulfanyl)benzoic acid hydrochloride
CAS Number:
1049711-81-0
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
MDL Number:
MFCD08262845
IUPAC Name:
4-amino-3-methylsulfanylbenzoic acid;hydrochloride
InChI:
InChI=1S/C8H9NO2S.ClH/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4H,9H2,1H3,(H,10,11);1H
InChI Key:
HGMBXHRUWKUPSG-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1N)C(=O)O.Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties