C1=CC=C2C(=C1)NC(=O)S2
CAS: 934-34-9
Nombre: 3H-1,3-benzothiazol-2-one
SMILES: C1=CC=C2C(=C1)NC(=O)S2

Molecular Processing

Molecular formula
C7H5NOS
Molecular weight
151.19
Exact mass
151.0092
XLogP
1.59
TPSA
32.86
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.45

Supplementary Information

InChIKey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
Sinónimos
Benzothiazolone934-34-92-HYDROXYBENZOTHIAZOLE2(3H)-Benzothiazolone1,3-Benzothiazol-2-ol2-Benzothiazolinone3H-1,3-benzothiazol-2-one2-oxobenzothiazoleNSC 7706UNII-7T26K7NG46DTXSID6061315CHEBI:1151967T26K7NG463H-benzothiazole-2-oneNSC-7706EINECS 213-281-1Benzothiazol, 2-hydroxy-NSC 26422NSC 33823NSC-26422NSC-33823BENZTHIAZOLINE,2-ONE2-Benzothiazolol (keto form)AI3-24484Carbamothioic acid, (2-mercatophenyl)-, gamma-lactoneCarbamothioic acid, (2-mercatophenyl)-, .gamma.-lactoneRefChem:1186842-Benzothiazolinone (8CI)DTXCID8048862(2-Mercatophenyl)carbamothioate g-lactone
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