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112433-58-6 | 1H-Thieno[3,4-d]imidazole, 2-[(4-thiazolylmethyl)thio]-
CAS No: 112433-58-6 Catalog No: AG007B31 MDL No:
Product Description
Catalog Number:
AG007B31
Chemical Name:
1H-Thieno[3,4-d]imidazole, 2-[(4-thiazolylmethyl)thio]-
CAS Number:
112433-58-6
Molecular Formula:
C9H7N3S3
Molecular Weight:
253.3670
IUPAC Name:
2-(1,3-thiazol-4-ylmethylsulfanyl)-1H-thieno[3,4-d]imidazole
InChI:
InChI=1S/C9H7N3S3/c1-6(10-5-14-1)2-15-9-11-7-3-13-4-8(7)12-9/h1,3-5H,2H2,(H,11,12)
InChI Key:
PWXJGCYQCIEDOQ-UHFFFAOYSA-N
SMILES:
s1cnc(c1)CSc1[nH]c2c(n1)csc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.356g/mol
Monoisotopic Mass:
252.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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