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115561-11-0 | Thiazole, 2,3-dihydro-2-(2(3H)-thiazolylidene)-
CAS No: 115561-11-0 Catalog No: AG000G62 MDL No:MFCD20688796
Product Description
Catalog Number:
AG000G62
Chemical Name:
Thiazole, 2,3-dihydro-2-(2(3H)-thiazolylidene)-
CAS Number:
115561-11-0
Molecular Formula:
C6H6N2S2
Molecular Weight:
170.2552
MDL Number:
MFCD20688796
IUPAC Name:
2-(3H-1,3-thiazol-2-ylidene)-3H-1,3-thiazole
InChI:
InChI=1S/C6H6N2S2/c1-3-9-5(7-1)6-8-2-4-10-6/h1-4,7-8H
InChI Key:
ZIYBDTPIRQANNX-UHFFFAOYSA-N
SMILES:
c1c[nH]c(=c2scc[nH]2)s1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.248g/mol
Monoisotopic Mass:
169.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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