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Home > Thiazole > 1550317-01-5
1550317-01-5 | 4-CYCLOPROPYL-5-(1,3-THIAZOL-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
CAS No: 1550317-01-5 Catalog No: AG01DQWZ MDL No:MFCD24196228
Product Description
Catalog Number:
AG01DQWZ
Chemical Name:
4-CYCLOPROPYL-5-(1,3-THIAZOL-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
1550317-01-5
Molecular Formula:
C8H8N4S2
Molecular Weight:
224.3059
MDL Number:
MFCD24196228
IUPAC Name:
4-cyclopropyl-3-(1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H8N4S2/c13-8-11-10-7(6-3-14-4-9-6)12(8)5-1-2-5/h3-5H,1-2H2,(H,11,13)
InChI Key:
MDHOLVSCTCEHLK-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CC1)c1cscn1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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