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1283468-78-9 | 2-iodo-5-(propan-2-yl)-1,3,4-thiadiazole
CAS No: 1283468-78-9 Catalog No: AG01A1F3 MDL No:MFCD18345316
Product Description
Catalog Number:
AG01A1F3
Chemical Name:
2-iodo-5-(propan-2-yl)-1,3,4-thiadiazole
CAS Number:
1283468-78-9
Molecular Formula:
C5H7IN2S
Molecular Weight:
254.0919
MDL Number:
MFCD18345316
IUPAC Name:
2-iodo-5-propan-2-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C5H7IN2S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3
InChI Key:
BNZZIMDMFPOCEK-UHFFFAOYSA-N
SMILES:
CC(c1nnc(s1)I)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:
253.937g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.089g/mol
Monoisotopic Mass:
253.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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