Basic information
- CAS
1631-52-3- Standard SMILES
C[NH+](C)C1CSSC1.O=C([O-])C(=O)O- InChIKey
CTHWFFMDTBCNNE-UHFFFAOYSA-N- Molecular formula
- C7H13NO4S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.02860024
Overview
See also: Nereistoxin Oxalate (preferred).
Names & identifiers
- Preferred name
- 1,2-Dihtiolan-4-amine, N,N-dimethyl-, oxalate (1:1)
- IUPAC
- dithiolan-4-yl(dimethyl)azanium;2-hydroxy-2-oxoacetate
- English name
- NEREISTOXIN OXALATE
- Molecular formula
- C7H13NO4S2
- Molecular weight
- 239.31
Names & synonyms
1,2-DIHTIOLAN-4-AMINE, N,N-DIMETHYL-, OXALATE (1:1)dithiolan-4-yl(dimethyl)azanium;2-hydroxy-2-oxoacetateNEREISTOXIN OXALATEnereistoxinhydrogenoxalateNereistoxin Oxalate StandardNereistoxin oxalate in MethanolNereistoxin oxalate Solution, 1000ppm4-(dimethylamino)-1,2-dithiolaneoxalaten,n-dimethyl-1,2-dithiolan-4-amineoxalate2-dihtiolan-4-amine,n,n-dimethyl-oxalate(1:1)Nereistoxin oxalate 100 μg/mL in AcetonitrileN,N-Dimethyl-1,2-dithiolan-4-amine oxalic acid
Database identifiers
- CAS
1631-52-3- PubChem CID
- 15401
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 177 ℃ · approximate 177℃ (dec.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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