AG00CKZO

3912-37-6 | 4-Isothiazolecarbonitrile

AG00CKZO

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CAS Number	3912-37-6
Catalog Number	AG00CKZO(AGN-PC-0JMPVX)
Chemical Name	4-Isothiazolecarbonitrile
IUPAC Name	1,2-thiazole-4-carbonitrile
InChI	InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H
InChI Key	OCYPFRDEUKBLNI-UHFFFAOYSA-N
MDL Number	MFCD00046084
Molecular Formula	C4H2N2S
Molecular Weight	110.1371
NSC Number	625191
SMILES	N#CC1=CSN=C1
Synonyms	ISOTHIAZOLE-4-CARBONITRILE, 3912-37-6, 4-Isothiazolecarbonitrile, 1,2-thiazole-4-carbonitrile, 4-cyanoisothiazole, NSC625191, AC1L3C0P, SCHEMBL2001598, CHEMBL1982829, CTK1C5812, KS-00000SOY, DTXSID80192371, ZINC1618092, 4170AJ, MFCD00046084, AKOS022632692, ACN-045388, NE63714, NSC-625191, AK163753, AS-42066, NCI60_007763, SC-52237, CS-0044096, ST24047459, InChI=1/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3, Z2696621678, C4H2N2S, CID138077,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.994g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.134g/mol
Monoisotopic Mass	109.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H228-H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number