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1339636-04-2 | 2-(cyclopentylmethyl)-5-iodo-1,3,4-thiadiazole
CAS No: 1339636-04-2 Catalog No: AG01B1CN MDL No:MFCD18345376
Product Description
Catalog Number:
AG01B1CN
Chemical Name:
2-(cyclopentylmethyl)-5-iodo-1,3,4-thiadiazole
CAS Number:
1339636-04-2
Molecular Formula:
C8H11IN2S
Molecular Weight:
294.1558
MDL Number:
MFCD18345376
IUPAC Name:
2-(cyclopentylmethyl)-5-iodo-1,3,4-thiadiazole
InChI:
InChI=1S/C8H11IN2S/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2
InChI Key:
PHQJCQCTYWBWBC-UHFFFAOYSA-N
SMILES:
Ic1nnc(s1)CC1CCCC1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.154g/mol
Monoisotopic Mass:
293.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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