Home Other Building Blocks (3,4-dihydro-2H-1-benzothiopyran-4-yl)methanamine

(3,4-dihydro-2H-1-benzothiopyran-4-yl)methanamine

CAS No.:
1368167-16-1
Catalog Number:
AG01BRM7
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
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Product Description
Catalog Number:
AG01BRM7
Chemical Name:
(3,4-dihydro-2H-1-benzothiopyran-4-yl)methanamine
CAS Number:
1368167-16-1
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD22065291
IUPAC Name:
3,4-dihydro-2H-thiochromen-4-ylmethanamine
InChI:
InChI=1S/C10H13NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7,11H2
InChI Key:
JHGVEOQYLIGEIJ-UHFFFAOYSA-N
SMILES:
NCC1CCSc2c1cccc2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties