AG00J2XQ

5097-45-0 | 3-Chloro-1,2,5-thiadiazole

AG00J2XQ

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CAS Number	5097-45-0
Catalog Number	AG00J2XQ(AGN-PC-00KGDE)
Chemical Name	3-Chloro-1,2,5-thiadiazole
IUPAC Name	3-chloro-1,2,5-thiadiazole
InChI	InChI=1S/C2HClN2S/c3-2-1-4-6-5-2/h1H
InChI Key	SIERESLMVMKVCT-UHFFFAOYSA-N
MDL Number	MFCD22588080
Molecular Formula	C2HClN2S
Molecular Weight	120.5607
SMILES	ClC1=NSN=C1
Synonyms	3-chloro-1,2,5-thiadiazole, 5097-45-0, 1,2,5-Thiadiazole, 3-chloro-, SCHEMBL6497108, CTK1G5748, DTXSID90515133, ALBB-027127, BBL033325, MFCD22588080, STL309088, ZINC39369560, AKOS005186884, MCULE-7976412441, FT-0743501, A-7005, F2381-0344,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number