CAS 70-10-0 Ticlatone (HCID 6258)

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Basic information

CAS: 70-10-0
Standard SMILES: O=c1[nH]sc2cc(Cl)ccc12
InChIKey: POPOYOKQQAEISW-UHFFFAOYSA-N
Molecular formula: C7H4ClNOS
Average molar mass: 185.635 g/mol
Monoisotopic mass: 184.97021243

Names & identifiers

Preferred name: Ticlatone
IUPAC: 6-Chloro-1,2-benzothiazol-3(2H)-one
English name: 6-Chloro-1,2-benzisothiazol-3(2H)-one
Molecular formula: C7H4ClNOS
Molecular weight: 185.63076

Names & synonyms

fer-1443landromilticlatoneLandromill6-chloro-1,2-benzisothiazolone6-chlorobenzo[d]isothiazol-3-ol6-chloro-1,2-benzothiazol-3-one6-chloro-2-benzisothiazolin-3-one6-chloro-2-benzisothiazol-3(2h)-one6-chloro-1,2-benzisothiazolin-3-one

Database identifiers

CAS: 70-10-0
PubChem CID: 6258
DTXSID: DTXSID8057809
ChEMBL: CHEMBL2103914
ChEBI: CHEBI:136026
UNII: BHW384Q9GI
Nikkaji: J4.873I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 270 · 270-272°C
Density: 1.515 · 1.515±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.72 · 9.72±0.20(Predicted)
color: White to Light Beige
FDA UNII: 384 Q9GI · BHW384Q9GI
ATC code: 1 AE08 · D01AE08

Chemistry & industry

Pharmacology

ATC Code · 2 items

D - Dermatologicals；D01 - Antifungals for dermatological use；D01A - Antifungals for topical use；D01AE - Other antifungals for topical use；D01AE08 - Ticlatone

QD - Dermatologicals；QD01 - Antifungals for dermatological use；QD01A - Antifungals for topical use；QD01AE - Other antifungals for topical use；QD01AE08 - Ticlatone