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832724-78-4 | Thiocyanic acid, [1-(phenylmethyl)-2-aziridinyl]methyl ester
CAS No: 832724-78-4 Catalog No: AG0056JG MDL No:
Product Description
Catalog Number:
AG0056JG
Chemical Name:
Thiocyanic acid, [1-(phenylmethyl)-2-aziridinyl]methyl ester
CAS Number:
832724-78-4
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
(1-benzylaziridin-2-yl)methyl thiocyanate
InChI:
InChI=1S/C11H12N2S/c12-9-14-8-11-7-13(11)6-10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChI Key:
AQQAZLPJNCBEPP-UHFFFAOYSA-N
SMILES:
N#CSCC1CN1Cc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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