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86240-40-6 | 2-ETHYLTHIO-2-IMIDAZOLINE HYDROIODIDE
CAS No: 86240-40-6 Catalog No: AG01AQ6M MDL No:MFCD03427542
Product Description
Catalog Number:
AG01AQ6M
Chemical Name:
2-ETHYLTHIO-2-IMIDAZOLINE HYDROIODIDE
CAS Number:
86240-40-6
Molecular Formula:
C5H11IN2S
Molecular Weight:
258.1237
MDL Number:
MFCD03427542
IUPAC Name:
2-ethylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
InChI:
InChI=1S/C5H10N2S.HI/c1-2-8-5-6-3-4-7-5;/h2-4H2,1H3,(H,6,7);1H
InChI Key:
IPRNMFUSZFMREG-UHFFFAOYSA-N
SMILES:
CCSC1=NCCN1.I
NSC Number:
523864
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.121g/mol
Monoisotopic Mass:
257.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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