AG00FGAD

65938-86-5 | 3-Bromopyridine-2-thiol

AG00FGAD

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CAS Number	65938-86-5
Catalog Number	AG00FGAD(AGN-PC-0NIUFX)
Chemical Name	3-Bromopyridine-2-thiol
IUPAC Name	3-bromo-1H-pyridine-2-thione
InChI	InChI=1S/C5H4BrNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChI Key	DYSAQUBMKLAXTJ-UHFFFAOYSA-N
MDL Number	MFCD14651478
Molecular Formula	C5H4BrNS
Molecular Weight	190.0610
SMILES	SC1=NC=CC=C1Br
Synonyms	3-bromopyridine-2-thiol, 65938-86-5, 3-Bromopyridine-2(1H)-thione, 2(1H)-Pyridinethione, 3-bromo-, 3-BROMO-1H-PYRIDINE-2-THIONE, 3-bromo-1,2-dihydropyridine-2-thione, 2-mercapto-3-bromo-pyridine, SCHEMBL9988909, CTK1I1305, DTXSID80495596, DYSAQUBMKLAXTJ-UHFFFAOYSA-N, KM0973, MFCD14651478, ZINC42375899, 3-Bromo-2-pyridinethiol, AldrichCPR, AKOS008146319, AKOS010631159, MCULE-8180431032, V7160, EN300-80846, C5H4BrNS,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.925g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.058g/mol
Monoisotopic Mass	188.925g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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