Home Other Building Blocks 1-(1-benzothiophen-3-yl)ethane-1,2-diamine

1-(1-benzothiophen-3-yl)ethane-1,2-diamine

CAS No.:
1250089-90-7
Catalog Number:
AG01A2L8
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
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Product Description
Catalog Number:
AG01A2L8
Chemical Name:
1-(1-benzothiophen-3-yl)ethane-1,2-diamine
CAS Number:
1250089-90-7
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD16848659
IUPAC Name:
1-(1-benzothiophen-3-yl)ethane-1,2-diamine
InChI:
InChI=1S/C10H12N2S/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9H,5,11-12H2
InChI Key:
PGDBMRTYHJMUIT-UHFFFAOYSA-N
SMILES:
NCC(c1csc2c1cccc2)N
Properties
Complexity:
174  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties