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Home > Bromides > 1019111-62-6
1019111-62-6 | 1,3,4-Thiadiazole, 2-bromo-5-(1-methylethyl)-
CAS No: 1019111-62-6 Catalog No: AG0005XU MDL No:MFCD09965539
Product Description
Catalog Number:
AG0005XU
Chemical Name:
1,3,4-Thiadiazole, 2-bromo-5-(1-methylethyl)-
CAS Number:
1019111-62-6
Molecular Formula:
C5H7BrN2S
Molecular Weight:
207.0915
MDL Number:
MFCD09965539
IUPAC Name:
2-bromo-5-propan-2-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C5H7BrN2S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3
InChI Key:
ONBQFBOZPYFOOQ-UHFFFAOYSA-N
SMILES:
CC(c1nnc(s1)Br)C
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.951g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.089g/mol
Monoisotopic Mass:
205.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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