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533886-10-1 | Thiocyanic acid, 4-thiazolyl ester
CAS No: 533886-10-1 Catalog No: AG00E84T MDL No:
Product Description
Catalog Number:
AG00E84T
Chemical Name:
Thiocyanic acid, 4-thiazolyl ester
CAS Number:
533886-10-1
IUPAC Name:
1,3-thiazol-4-yl thiocyanate
InChI:
InChI=1S/C4H2N2S2/c5-2-8-4-1-7-3-6-4/h1,3H
InChI Key:
OSDGUOIPUUYCHT-UHFFFAOYSA-N
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.966g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.194g/mol
Monoisotopic Mass:
141.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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