Home Other Building Blocks 3,4-dihydro-1H-2-benzothiopyran-1-ylmethanamine

3,4-dihydro-1H-2-benzothiopyran-1-ylmethanamine

CAS No.:
19158-92-0
Catalog Number:
AG019U15
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
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Product Description
Catalog Number:
AG019U15
Chemical Name:
3,4-dihydro-1H-2-benzothiopyran-1-ylmethanamine
CAS Number:
19158-92-0
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD20698414
IUPAC Name:
3,4-dihydro-1H-isothiochromen-1-ylmethanamine
InChI:
InChI=1S/C10H13NS/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2
InChI Key:
AHKCFHQFPBRVLQ-UHFFFAOYSA-N
SMILES:
NCC1SCCc2c1cccc2
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:
1.5  
Properties