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123323-71-7 | 2H-Pyrrol-5-amine, 2-imino-3,4-bis(2,4,5-trimethyl-3-thienyl)-
CAS No: 123323-71-7 Catalog No: AG000KCE MDL No:
Product Description
Catalog Number:
AG000KCE
Chemical Name:
2H-Pyrrol-5-amine, 2-imino-3,4-bis(2,4,5-trimethyl-3-thienyl)-
CAS Number:
123323-71-7
Molecular Formula:
C18H21N3S2
Molecular Weight:
343.5094
IUPAC Name:
5-imino-3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrol-2-amine
InChI:
InChI=1S/C18H21N3S2/c1-7-9(3)22-11(5)13(7)15-16(18(20)21-17(15)19)14-8(2)10(4)23-12(14)6/h1-6H3,(H3,19,20,21)
InChI Key:
FNDMHIJVQDASTG-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1C1=C(C(=N)N=C1N)c1c(C)sc(c1C)C)C)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.118g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.507g/mol
Monoisotopic Mass:
343.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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