AG00EPT7

5909-26-2 | 2,4-Bis(methylthio)pyrimidine

AG00EPT7

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CAS Number	5909-26-2
Catalog Number	AG00EPT7(AGN-PC-0JTJZJ)
Chemical Name	2,4-Bis(methylthio)pyrimidine
IUPAC Name	2,4-bis(methylsulfanyl)pyrimidine
InChI	InChI=1S/C6H8N2S2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
InChI Key	KXUITROLMFEFNV-UHFFFAOYSA-N
MDL Number	MFCD18974850
Molecular Formula	C6H8N2S2
Molecular Weight	172.2711
SMILES	CSC1=NC(SC)=NC=C1
Synonyms	2,4-Bis(methylthio)pyrimidine, 5909-26-2, Pyrimidine, 2,4-bis(methylthio)-, 2,4-Bis(methylsulfanyl)pyrimidine, AC1LCCAW, 2,4-dimethylthiopyrimidine, SCHEMBL5576942, CHEMBL3949907, CTK1E8171, DTXSID40344713, KXUITROLMFEFNV-UHFFFAOYSA-N, 2,4-Bis(methylsulfanyl)pyrimidine #, MFCD18974850, ZINC32210860, AKOS027338262, FCH1052882, GS-6302, AK340291, 4CH-001433, CS-0045701, CID599004,

Complexity	99.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.013g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.264g/mol
Monoisotopic Mass	172.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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