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207517-37-1 | Thiophene, 2,5-bis(3,3-dimethyl-1-butyn-1-yl)-
CAS No: 207517-37-1 Catalog No: AG002J3Q MDL No:
Product Description
Catalog Number:
AG002J3Q
Chemical Name:
Thiophene, 2,5-bis(3,3-dimethyl-1-butyn-1-yl)-
CAS Number:
207517-37-1
Molecular Formula:
C16H20S
Molecular Weight:
244.3950
IUPAC Name:
2,5-bis(3,3-dimethylbut-1-ynyl)thiophene
InChI:
InChI=1S/C16H20S/c1-15(2,3)11-9-13-7-8-14(17-13)10-12-16(4,5)6/h7-8H,1-6H3
InChI Key:
SOMHQPOBSVZCKC-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccc(s1)C#CC(C)(C)C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.129g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.396g/mol
Monoisotopic Mass:
244.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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