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27806-86-6 | N-(2,6-dimethylphenyl)(methylsulfanyl)methanimidamide hydroiodide
CAS No: 27806-86-6 Catalog No: AG01ACAR MDL No:
Product Description
Catalog Number:
AG01ACAR
Chemical Name:
N-(2,6-dimethylphenyl)(methylsulfanyl)methanimidamide hydroiodide
CAS Number:
27806-86-6
Molecular Formula:
C10H15IN2S
Molecular Weight:
322.2090
IUPAC Name:
methyl N'-(2,6-dimethylphenyl)carbamimidothioate;hydroiodide
InChI:
InChI=1S/C10H14N2S.HI/c1-7-5-4-6-8(2)9(7)12-10(11)13-3;/h4-6H,1-3H3,(H2,11,12);1H
InChI Key:
NASYPFBRLFJLSO-UHFFFAOYSA-N
SMILES:
CSC(=N)Nc1c(C)cccc1C.I
NSC Number:
137922
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.208g/mol
Monoisotopic Mass:
322g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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