AG00DHXY

52819-57-5 | 2-Chloro-1,3,4-thiadiazole

AG00DHXY

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CAS Number	52819-57-5
Catalog Number	AG00DHXY(AGN-PC-00K91P)
Chemical Name	2-Chloro-1,3,4-thiadiazole
IUPAC Name	2-chloro-1,3,4-thiadiazole
InChI	InChI=1S/C2HClN2S/c3-2-5-4-1-6-2/h1H
InChI Key	UHOKROAAKKMQQX-UHFFFAOYSA-N
MDL Number	MFCD17170010
Molecular Formula	C2HClN2S
Molecular Weight	120.5607
SMILES	ClC1=NN=CS1
Synonyms	2-chloro-1,3,4-thiadiazole, 52819-57-5, AC1Q3KXS, SCHEMBL1820715, 5-Chloro-[1,3,4]thiadiazole, CTK8B8318, DTXSID40513902, UHOKROAAKKMQQX-UHFFFAOYSA-N, ALBB-031577, 7474AB, ANW-60130, MFCD17170010, ZINC39348794, AKOS012689848, AJ-99960, 2-Chloro-1,3,4-thiadiazole, AldrichCPR, DB-071588, TC-148875, FT-0723240, EN300-77812, Y-7794, I09-1846, F8880-0798, C2HClN2S,

Complexity	50.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.955g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.554g/mol
Monoisotopic Mass	119.955g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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