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1597081-85-0 | "3-chloro-5-cyclopropyl-1,2,4-thiadiazole"
CAS No: 1597081-85-0 Catalog No: AG01FMY6 MDL No:MFCD28151720
Product Description
Catalog Number:
AG01FMY6
Chemical Name:
"3-chloro-5-cyclopropyl-1,2,4-thiadiazole"
CAS Number:
1597081-85-0
Molecular Formula:
C5H5ClN2S
Molecular Weight:
160.6246
MDL Number:
MFCD28151720
IUPAC Name:
3-chloro-5-cyclopropyl-1,2,4-thiadiazole
InChI:
InChI=1S/C5H5ClN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
InChI Key:
CLQSSOBUMSYNMS-UHFFFAOYSA-N
SMILES:
Clc1nsc(n1)C1CC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.619g/mol
Monoisotopic Mass:
159.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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