Basic information
- CAS
350990-20-4- Standard SMILES
COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1N- InChIKey
SNPDDVOTBJHGPB-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
- IUPAC
- methyl 2-amino-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
- English name
- 2-Amino-4-(4-isopropyl-phenyl)-thiophene-3-carboxylic acid methyl ester
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.37
Names & synonyms
methyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate350990-20-4MFCD01921970methyl 2-amino-4-(4-propan-2-ylphenyl)thiophene-3-carboxylatemethyl 2-amino-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylic acid methyl esterCBMicro_046549Oprea1_700344DTXSID30358006ALBB-001689BBL016621STK424907
Show more names
CHEMBRDG-BB 3000779methyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate(SALTDATA: FREE)3-Thiophenecarboxylic acid, 2-amino-4-[4-(1-methylethyl)phenyl]-, methyl ester
2-Amino-4-(4-isopropyl-phenyl)-thiophene-3-carboxylic acid methyl esterAKOS0030401156131-26-6VS-05417BIM-0046602.P001CS-0273830ST50925982H21626
Database identifiers
- CAS
350990-20-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海百韧生物科技有限公司13564638271 · [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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