Home Amines 1001020-08-1
1001020-08-1,MFCD11108853
Catalog No.:AA0000VY
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, 1,1-dimethylethyl ester | 1001020-08-1
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250mg
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$246.00
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1g
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$555.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000VY
Chemical Name:
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1001020-08-1
Molecular Formula:
C13H19N3O3S
Molecular Weight:
297.3733
MDL Number:
MFCD11108853
IUPAC Name:
tert-butyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
InChI:
InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-5-4-7-8(6-16)20-11(15)9(7)10(14)17/h4-6,15H2,1-3H3,(H2,14,17)
InChI Key:
RITBMKDFXNCZCM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(c2C(=O)N)N)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.373g/mol
Monoisotopic Mass:
297.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1001020-08-1 
tert-Butyl 2-amino-3-carbamoyl-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate 
ZINC100004658 
QC-8821 
DA-16576 
AB0073476 
AX8258959 
FT-0748115 
K-0145 
tert-Butyl 2-amino-3-carbamoyl-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate 
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, 1,1-dimethylethyl ester 
2-AMINO-6-BOC-3-CARBAMOYL-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE 
2-Amino-3-carbamoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-Butyl ester 
SCHEMBL351992 
CTK7G2962 
DTXSID60678901 
RITBMKDFXNCZCM-UHFFFAOYSA-N 
MFCD11108853 
AKOS005133060 
Literature
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