7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one
Basic information
- CAS
15182-83-9- Standard SMILES
Cc1cc(Cl)cc2c1NC(=O)CS2- InChIKey
CKRMHETZULBGOC-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0015127
Names & identifiers
- Preferred name
- 7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one
- IUPAC
- 7-chloro-5-methyl-4H-1,4-benzothiazin-3-one
- English name
- 7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one
- Molecular formula
- C9H8ClNOS
- Molecular weight
- 213.68392
Names & synonyms
7-Chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one15182-83-9EINECS 239-232-4DTXSID70164885RefChem:105937DTXCID9087376239-232-47-chloro-5-methyl-4H-1,4-benzothiazin-3-one2h-1,4-benzothiazin-3(4h)-one, 7-chloro-5-methyl-NCV4LA49RX2H-1,4-Benzothiazin-3(4H)-one,7-chloro-5-methyl-CKRMHETZULBGOC-UHFFFAOYSA-N
Show more names
7-Chloro-5-methyl-2,4-dihydro-3H-1,4-benzothiazin-3-one
STK229852AKOS005420170NS00024951AE-641/32252003SR-01000389039SR-01000389039-1
Database identifiers
- CAS
15182-83-9- PubChem CID
- 84822
- DTXSID
DTXSID70164885- UNII
- NCV4LA49RX
- EC Number
- 239-232-4
- Nikkaji
- J32.152D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 185 · 185-186 °C
- Boiling point
- 387.2 · 387.2±42.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.20(Predicted)
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Compound notes
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