CAS: 206559-48-0
名称: 4-(aminocarbamothioylamino)benzoic acid
SMILES:
NNC(=S)Nc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C8H9N3O2S
Molecular weight
211.25
Exact mass
211.0415
XLogP
0.54
TPSA
87.38
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.95
Supplementary Information
InChIKey: DKMVMRDKDAUDOS-UHFFFAOYSA-N
同義語
4-(4-Carboxyphenyl)-3-thiosemicarbazide206559-48-04-(aminocarbamothioylamino)benzoic acid4-(Hydrazinecarbothioamido)benzoic acidMFCD000605844-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid4-[(aminocarbamothioyl)amino]benzoic acidSCHEMBL456985DTXSID80373865DKMVMRDKDAUDOS-UHFFFAOYSA-NGIA55948AKOS015836344SB859604-hydrazinocarbonothioylaminobenzoic acidBS-220184-[(Hydrazinecarbothioyl)amino]benzoic acidDB-0453254-[(hydrazinothioxomethyl)amino]benzoic acidCS-0205144ST51041866
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