C1=CC=C2C(=C1)NC(=O)C(S2)Cl
CAS: 55043-49-7
Name: 2-chloro-4H-1,4-benzothiazin-3-one
SMILES: C1=CC=C2C(=C1)NC(=O)C(S2)Cl

Molecular Processing

Molecular formula
C8H6ClNOS
Molecular weight
199.66
Exact mass
198.9859
XLogP
2.3
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.57

Supplementary Information

InChIKey: ONZFKCLIDSARQT-UHFFFAOYSA-N
Synonyme
55043-49-72H-1,4-Benzothiazin-3(4H)-one, 2-chloro-2-chloro-2H-1,4-benzothiazine-3(4H)-one2-chloro-3,4-dihydro-3-oxo-2H-1,4-benzothiazineSCHEMBL4325934SCHEMBL31542005DTXSID80480987ONZFKCLIDSARQT-UHFFFAOYSA-N2-Chloro-2H-1,4-benzothiazin-3(4H)-one2-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazine
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