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124499-23-6 | 2H-1-Benzothiopyran-3-amine, 3,4-dihydro-
CAS No: 124499-23-6 Catalog No: AG000M40 MDL No:MFCD04114514
Product Description
Catalog Number:
AG000M40
Chemical Name:
2H-1-Benzothiopyran-3-amine, 3,4-dihydro-
CAS Number:
124499-23-6
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD04114514
IUPAC Name:
3,4-dihydro-2H-thiochromen-3-amine
InChI:
InChI=1S/C9H11NS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8H,5-6,10H2
InChI Key:
HMJPRXLPAGOYFX-UHFFFAOYSA-N
SMILES:
NC1CSc2c(C1)cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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