C1=CC=C2C(=C1)N=C(S2)SCC(=O)O
CAS: 6295-57-4
Nom: 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
SMILES: C1=CC=C2C(=C1)N=C(S2)SCC(=O)O

Molecular Processing

Molecular formula
C9H7NO2S2
Molecular weight
225.29
Exact mass
224.9918
XLogP
2.47
TPSA
50.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
57.98

Supplementary Information

InChIKey: ZZUQWNYNSKJLPI-UHFFFAOYSA-N
Synonymes
6295-57-4Acetic acid, (2-benzothiazolylthio)-2-(Carboxymethylthio)benzothiazole2-(2-Benzothiazolylthio)acetic acid2-Carboxymethylthiobenzothiazole9H400WTE52NSC-11891Acetic acid, 2-(2-benzothiazolylthio)-DTXSID5064209NSC-4443RefChem:453343DTXCID1043596228-565-0(2-Benzothiazolylthio)acetic Acid2-(benzo[d]thiazol-2-ylthio)acetic acid2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid(Benzothiazol-2-ylsulfanyl)-acetic acid(2-BENZOTHIAZOLYTHIO)acetic acid(1,3-benzothiazol-2-ylthio)acetic acidMFCD00227391(Benzothiazol-2-ylthio)acetic acid(1,3-Benzothiazol-2-ylsulfanyl)acetic acidS-2-(Benzothiazolylthio)glycolic acidMLS000737963S-2-Benzothiazolylthioglycolic acid2-benzothiazol-2-ylthioacetic acidSMR000274397ChemDiv1_000008EINECS 228-565-0NSC 11891
Voir la source →
Impliqué dans 32 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→