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80881-56-7 | 2H-1,4-Thiazin-2-one, 3-cyclopropyl-5,6-dihydro-, oxime
CAS No: 80881-56-7 Catalog No: AG005IAJ MDL No:
Product Description
Catalog Number:
AG005IAJ
Chemical Name:
2H-1,4-Thiazin-2-one, 3-cyclopropyl-5,6-dihydro-, oxime
CAS Number:
80881-56-7
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
IUPAC Name:
N-(5-cyclopropyl-2,3-dihydro-1,4-thiazin-6-ylidene)hydroxylamine
InChI:
InChI=1S/C7H10N2OS/c10-9-7-6(5-1-2-5)8-3-4-11-7/h5,10H,1-4H2
InChI Key:
HPABKCGRXVDNAM-UHFFFAOYSA-N
SMILES:
ON=C1SCCN=C1C1CC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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