Basic information
- CAS
18504-81-9- Standard SMILES
O=C1CSc2ncccc2N1- InChIKey
BOASKSPVGGTZKJ-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008399
Overview
structure
Names & identifiers
- Preferred name
- 1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
- IUPAC
- 1H-pyrido[2,3-b][1,4]thiazin-2-one
- English name
- 1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
- Molecular formula
- C7H6N2OS
- Molecular weight
- 166.2
Names & synonyms
18504-81-91H-Pyrido[2,3-b][1,4]thiazin-2(3H)-oneAbbott 29590Abbott-29590DTXSID601717052PL1478Z1W1H-Pyrido(2,3-b)(1,4)thiazin-2(3H)-oneRefChem:908346DTXCID6094196242-388-61H-pyrido[2,3-b][1,4]thiazin-2-one2,3-dihydro-1H-pyrido(2,3-b)(1,4)thiazin-2-one
Show more names
EINECS 242-388-6MFCD016899891H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-oneBRN 0513741UNII-2PL1478Z1W2,3-Dihydro-1-H-pyridino(2,3-b)(1,4)thiazine-2-oneSCHEMBL706780SCHEMBL6080268
Database identifiers
- CAS
18504-81-9- PubChem CID
- 29110
- DTXSID
DTXSID60171705- UNII
- 2PL1478Z1W
- EC Number
- 242-388-6
- Nikkaji
- J222.226D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 209 · 209-211 °C
- Boiling point
- 399.2 · 399.2±37.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.20(Predicted)
- FDA UNII
- 2 PL1478Z1W · 2PL1478Z1W
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
苏州克拉斯生物科技有限公司18616764616 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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