AG00C28J

25752-90-3 | 1-Bromo-4-(tert-butylsulfanyl)benzene

AG00C28J

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CAS Number	25752-90-3
Catalog Number	AG00C28J(AGN-PC-0KKPWY)
Chemical Name	1-Bromo-4-(tert-butylsulfanyl)benzene
IUPAC Name	1-bromo-4-tert-butylsulfanylbenzene
InChI	InChI=1S/C10H13BrS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChI Key	WHWRWEGAKBALHO-UHFFFAOYSA-N
MDL Number	MFCD04973729
Molecular Formula	C10H13BrS
Molecular Weight	245.1792
SMILES	CC(SC1=CC=C(Br)C=C1)(C)C
Synonyms	1-bromo-4-(tert-butylsulfanyl)benzene, 25752-90-3, 1-Bromo-4-t-butylthiobenzene, (4-Bromophenyl)(tert-butyl)sulfane, Benzene,1-bromo-4-[(1,1-dimethylethyl)thio]-, J-501374, 4-(tert-butylsulfanyl)bromobenzene, bromobutylsulfanylbenzene, ACMC-1CF78, 4-tert-butylthio-bromobenzene, AC1MC943, SCHEMBL4411163, 4-Bromophenyl tert-butyl sulfide, CTK4F6379, DTXSID10377235, 1-Bromo-4-tert-butyl thiobenzene, WHWRWEGAKBALHO-UHFFFAOYSA-N, ZINC169338, 1-(tert-butylthio)-4-bromobenzene, 1-bromo-4-tert-butylsulfanylbenzene, KS-00001X4O, ANW-25805, MFCD04973729, SBB099967, AKOS005070613, FCH1326736, RP13986, ZB009069, TR-011699, FT-0680410, V4719, C-4312, 4X-0722, I01-11117, C10H13BrS, ZINC00169338, CID2763985,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.992g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.178g/mol
Monoisotopic Mass	243.992g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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