Basic information
- CAS
60175-95-3- Standard SMILES
O=C(O)C1CCSCN1- InChIKey
JZKHUBWXBZINMO-UHFFFAOYSA-N- Molecular formula
- C5H9NO2S
- Average molar mass
- 147.2 g/mol
- Monoisotopic mass
- 147.0353997
Names & identifiers
- Preferred name
- Tetrahydro-2H-1,3-thiazine-4-carboxylic acid
- IUPAC
- 1,3-thiazinane-4-carboxylic acid
- English name
- omonasteine
- Molecular formula
- C5H9NO2S
- Molecular weight
- 147.2
Names & synonyms
Omonasteine1,3-thiazinane-4-carboxylic acid60175-95-3OmonasteinaOmonasteinumTetrahydro-2H-1,3-thiazine-4-carboxylic acid7X84GC156KDTXSID50866794RefChem:168227DTXCID00815035262-097-8Omonasteine [INN]
Show more names
2H-1,3-Thiazine-4-carboxylic acid, tetrahydro-1,3-thiazinane-4-carboxylic acid(SALTDATA: HCl)2H-1,3-Thiazine-4-carboxylicacid,tetrahydro-(6CI,7CI,9CI)
MFCD008690292H-1,3-Thiazine-4-carboxylic acid, tetrahydro-, hydrochloride1,3-thiazaperhydroine-4-carboxylic acidSR-01000945205Omonasteinum [INN-Latin]Omonasteina [INN-Spanish]UNII-7X84GC156K1,3-Thiazinan-4-carconsaeure
Database identifiers
- CAS
60175-95-3- PubChem CID
- 68797
- DTXSID
DTXSID50866794- ChEMBL
CHEMBL2105362- UNII
- 7X84GC156K
- EC Number
- 262-097-8
- Nikkaji
- J18.381D
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- FDA UNII
- 7 X84GC156K · 7X84GC156K
Chemistry & industry
Applications
Uses1,3-Thiazinane-4-carboxylic acid is an intermediate in the mechanism of condensation of homocysteine thiolactone with aldehydes.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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