Home Other Building Blocks (2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine hydrochloride

(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine hydrochloride

CAS No.:
1909319-17-0
Catalog Number:
AG01C49E
Molecular Formula:
C9H12ClNOS
Molecular Weight:
217.7157
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Product Description
Catalog Number:
AG01C49E
Chemical Name:
(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine hydrochloride
CAS Number:
1909319-17-0
Molecular Formula:
C9H12ClNOS
Molecular Weight:
217.7157
MDL Number:
MFCD29763062
IUPAC Name:
2,3-dihydro-1,4-benzoxathiin-2-ylmethanamine;hydrochloride
InChI:
InChI=1S/C9H11NOS.ClH/c10-5-7-6-12-9-4-2-1-3-8(9)11-7;/h1-4,7H,5-6,10H2;1H
InChI Key:
NSDSKHUUAQAGIS-UHFFFAOYSA-N
SMILES:
NCC1CSc2c(O1)cccc2.Cl
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.711g/mol
Monoisotopic Mass:
217.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties