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Home Nitriles 2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

CAS No.:
40106-17-0
Catalog Number:
AG00C8DE
Molecular Formula:
C15H22N2S
Molecular Weight:
262.4136
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00C8DE
Chemical Name:
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
CAS Number:
40106-17-0
Molecular Formula:
C15H22N2S
Molecular Weight:
262.4136
MDL Number:
MFCD00742783
IUPAC Name:
2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
InChI:
InChI=1S/C15H22N2S/c16-11-13-12-9-7-5-3-1-2-4-6-8-10-14(12)18-15(13)17/h1-10,17H2
InChI Key:
NJKJOVJKMPBQIL-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCCCCCCCCC2
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.15g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.415g/mol
Monoisotopic Mass:
262.15g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Properties