Home Carboxys methyl 3-[(dimethylcarbamoyl)sulfanyl]thiophene-2-carboxylate

methyl 3-[(dimethylcarbamoyl)sulfanyl]thiophene-2-carboxylate

CAS No.:
141557-41-7
Catalog Number:
AG01BXVD
Molecular Formula:
C9H11NO3S2
Molecular Weight:
245.3185
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Product Description
Catalog Number:
AG01BXVD
Chemical Name:
methyl 3-[(dimethylcarbamoyl)sulfanyl]thiophene-2-carboxylate
CAS Number:
141557-41-7
Molecular Formula:
C9H11NO3S2
Molecular Weight:
245.3185
MDL Number:
MFCD20130881
IUPAC Name:
methyl 3-(dimethylcarbamoylsulfanyl)thiophene-2-carboxylate
InChI:
InChI=1S/C9H11NO3S2/c1-10(2)9(12)15-6-4-5-14-7(6)8(11)13-3/h4-5H,1-3H3
InChI Key:
FKIOSCMUMOQGQX-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1SC(=O)N(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.018g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.311g/mol
Monoisotopic Mass:
245.018g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties