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88541-12-2 | Guanidine, [4-[3-[[(methylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS No: 88541-12-2 Catalog No: AG004FV3 MDL No:
Product Description
Catalog Number:
AG004FV3
Chemical Name:
Guanidine, [4-[3-[[(methylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS Number:
88541-12-2
Molecular Formula:
C12H14N6S
Molecular Weight:
274.3448
IUPAC Name:
N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide
InChI:
InChI=1S/C12H14N6S/c1-15-7-16-9-4-2-3-8(5-9)10-6-19-12(17-10)18-11(13)14/h2-7H,1H3,(H,15,16)(H4,13,14,17,18)
InChI Key:
MRTUBNJTWHQTJJ-UHFFFAOYSA-N
SMILES:
CNC=Nc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.346g/mol
Monoisotopic Mass:
274.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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