Home Other Building Blocks 6-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine

6-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine

CAS No.:
1094350-91-0
Catalog Number:
AG01ABGB
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
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Product Description
Catalog Number:
AG01ABGB
Chemical Name:
6-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine
CAS Number:
1094350-91-0
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD11207727
IUPAC Name:
6-methyl-3,4-dihydro-2H-thiochromen-4-amine
InChI:
InChI=1S/C10H13NS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3
InChI Key:
TZWIMFKGHRPBNI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(N)CCS2
Properties
Complexity:
160  
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:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties