(1,2,3-Benzothiadiazol-5-yl)methanol

HCID 21873619CAS 615568-10-0
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1ccc2snnc2c1
InChIKey
VCEGXPUFHUAMCE-UHFFFAOYSA-N
Molecular formula
C7H6N2OS
Average molar mass
166.2 g/mol
Monoisotopic mass
166.02008381

Names & identifiers

Preferred name
(1,2,3-Benzothiadiazol-5-yl)methanol
IUPAC
1,2,3-benzothiadiazol-5-ylmethanol
English name
benzo[d][1,2,3]thiadiazol-5-ylmethanol
Molecular formula
C7H6N2OS
Molecular weight
166.2

Names & synonyms

615568-10-0(1,2,3-Benzothiadiazol-5-yl)methanolDTXSID60619192RefChem:204127DTXCID60569946benzo[d][1,2,3]thiadiazol-5-ylmethanol1,2,3-BENZOTHIADIAZOL-5-YLMETHANOLbenzo[1,2,3]thiadiazol-5-yl-methanolbenzothiadiazol-5-ylmethanolSCHEMBL3205606VCEGXPUFHUAMCE-UHFFFAOYSA-NDA-04398
Show more names
Perospirone Impurity 32-d171,2,3-Benzothiadiazole-5-methanol
1,2,3-Benzothiadiazole-5-methanol, 97%

Database identifiers

CAS
615568-10-0
PubChem CID
21873619
DTXSID
DTXSID60619192

Properties

Computed structural properties

XLogP
1
Topological polar surface area
74.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
328.4 · 328.4±34.0 °C(Predicted)
Density
1.466 · 1.466±0.06 g/cm3(Predicted)
pka
13.62 · 13.62±0.10(Predicted)

Chemistry & industry

Suppliers7 total

郑州药领医药科技有限公司13526569071 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
郑州爱希医药科技有限公司0371-56787280 13137706083
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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