Home Other Building Blocks 2-methyl-4-(1H-pyrrol-3-yl)-1,3-thiazole

2-methyl-4-(1H-pyrrol-3-yl)-1,3-thiazole

CAS No.:
1803583-12-1
Catalog Number:
AG01AFNX
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
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Product Description
Catalog Number:
AG01AFNX
Chemical Name:
2-methyl-4-(1H-pyrrol-3-yl)-1,3-thiazole
CAS Number:
1803583-12-1
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD27500938
IUPAC Name:
2-methyl-4-(1H-pyrrol-3-yl)-1,3-thiazole
InChI:
InChI=1S/C8H8N2S/c1-6-10-8(5-11-6)7-2-3-9-4-7/h2-5,9H,1H3
InChI Key:
YLCDKQZISAADEP-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1c[nH]cc1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties