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Home Nitriles 2-Amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carbonitrile

2-Amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carbonitrile

CAS No.:
23917-22-8
Catalog Number:
AG00C1X7
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(GC)
In Stock USA
United States
$115
- +
500mg
95%
In Stock USA
United States
$200
- +
1g
95%
In Stock USA
United States
$250
- +
5g
98%(GC)
In Stock USA
United States
$682
- +
10g
98%(GC)
In Stock USA
United States
$1011
- +
Product Description
Catalog Number:
AG00C1X7
Chemical Name:
2-Amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carbonitrile
CAS Number:
23917-22-8
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD00121496
IUPAC Name:
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
InChI:
InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
InChI Key:
GBQACFCEZPKMTA-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCCCC2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C. Journal of medicinal chemistry 20101209
Properties