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893005-81-7 | 2-(ETHYLAMINO)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBONITRILE
CAS No: 893005-81-7 Catalog No: AG003YNA MDL No:MFCD06103794
Product Description
Catalog Number:
AG003YNA
Chemical Name:
2-(ETHYLAMINO)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBONITRILE
CAS Number:
893005-81-7
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD06103794
IUPAC Name:
2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C11H14N2S/c1-2-13-11-9(7-12)8-5-3-4-6-10(8)14-11/h13H,2-6H2,1H3
InChI Key:
LETQNPVBDXFAIJ-UHFFFAOYSA-N
SMILES:
CCNc1sc2c(c1C#N)CCCC2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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