3-Bromo-2,4-dimethylthiophene - CAS 79485-96-4

Catalog:	BB036363
Product Name:	3-Bromo-2,4-dimethylthiophene
CAS:	79485-96-4
Synonyms:	3-bromo-2,4-dimethylthiophene; 3-bromo-2,4-dimethylthiophene

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-2,4-dimethylthiophene
Description:	3-Bromo-2,4-dimethylthiophene (CAS# 79485-96-4) is a useful research chemical compound.
Molecular Weight:	191.09
Molecular Formula:	C6H7BrS
Canonical SMILES:	CC1=CSC(=C1Br)C
InChI:	InChI=1S/C6H7BrS/c1-4-3-8-5(2)6(4)7/h3H,1-2H3
InChI Key:	FJAWMIOGPDVYID-UHFFFAOYSA-N
MDL:	MFCD18451597
LogP:	3.12740

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EP-3611165-A1	Pyridone compound, and agricultural and horticultural fungicide having this as active component	20170411
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Complexity:	84.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.94518
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.94518
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1