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Thiophene, 3-ethenyl-

CAS No.:
13679-64-6
Catalog Number:
AG0012DN
Molecular Formula:
C6H6S
Molecular Weight:
110.1768
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Product Description
Catalog Number:
AG0012DN
Chemical Name:
Thiophene, 3-ethenyl-
CAS Number:
13679-64-6
Molecular Formula:
C6H6S
Molecular Weight:
110.1768
MDL Number:
MFCD07438049
IUPAC Name:
3-ethenylthiophene
InChI:
InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
InChI Key:
BOJMHHBWYPDQQH-UHFFFAOYSA-N
SMILES:
C=Cc1cscc1
Properties
Complexity:
68.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.019g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.174g/mol
Monoisotopic Mass:
110.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties