Basic information
- CAS
169759-79-9- Standard SMILES
COC(=O)c1sc(-c2cccs2)cc1N- InChIKey
CFHYAXQWEYGRTM-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.00747088
Names & identifiers
- Preferred name
- Methyl 4-amino(2,2'-bithiophene)-5-carboxylate
- IUPAC
- methyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylate
- English name
- Methyl 3-amino-5-(thien-2-yl)thiophene-2-carboxylate
- Molecular formula
- C10H9NO2S2
- Molecular weight
- 239.31
Names & synonyms
169759-79-9DTXSID70371618Methyl 4-amino(2,2'-bithiophene)-5-carboxylateMethyl 4-amino[2,2'-bithiophene]-5-carboxylateRefChem:1089458DTXCID40322652Methyl 4-amino-[2,2'-bithiophene]-5-carboxylateMethyl 3-amino-5-(thien-2-yl)thiophene-2-carboxylateMethyl 4-Amino-2,2'-bithiophene-5-carboxylatemethyl 3-amino-5-thiophen-2-ylthiophene-2-carboxylateMFCD01566302methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate
Show more names
Methyl3-amino-5-(thien-2-yl)thiophene-2-carboxylate97%[2,2'-Bithiophene]-5-carboxylic acid, 4-amino-, methyl ester3-amino-5-thiophen-2-yl-2-thiophenecarboxylic acid methyl ester
Maybridge1_003936MLS001111216SCHEMBL8864122CHEMBL1508842HMS552K20HMS2811N18SBB053880AKOS009158520
Database identifiers
- CAS
169759-79-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility7.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 444.7 · 444.7±45.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.62 · 1.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers19 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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