AG001KG7

1450-85-7 | 2(1H)-Pyrimidinethione

AG001KG7

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CAS Number	1450-85-7
Catalog Number	AG001KG7(AGN-PC-03FANV)
Chemical Name	2(1H)-Pyrimidinethione
EC Number	215-917-3
IUPAC Name	1H-pyrimidine-2-thione
InChI	InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
InChI Key	HBCQSNAFLVXVAY-UHFFFAOYSA-N
MDL Number	MFCD00006073
Molecular Formula	C4H4N2S
Molecular Weight	112.1530
SMILES	N1C(N=CC=C1)=S
Synonyms	2-mercapto pyrimidine, 2-mercaptopyrimidine, pyrimidine-2-thiol, pyrimidine-2-thiol, lithium salt, 2-Mercaptopyrimidine, 1450-85-7, Pyrimidine-2-thiol, 2-Pyrimidinethiol, 2-Thiopyrimidine, Pyrimidine-2(1H)-thione, 2(1H)-Pyrimidinethione, Pyrimidinethione, 1H-pyrimidine-2-thione, 131242-36-9, 2-Pyrimidinethione, CHEBI:53576, MFCD00006073, 2-Mercaptopyrimidine, 98%, HBCQSNAFLVXVAY-UHFFFAOYSA-N, NSC48073, 2-Pyrimidinethiol (9CI), mercaptopyrimidine, EINECS 215-917-3, pyrimidine-2-thione, 2-Pyrimidinethiol #, 2-mercapto-pyrimidine, PubChem21982, AC1LT3FE, ACMC-209cu6, Epitope ID:120364, AC1Q7GB9, DSSTox_CID_29076, DSSTox_RID_83295, DSSTox_GSID_49220, SCHEMBL37899, KSC170A8F, 1,2-dihydropyrimidine-2-thione, CHEMBL1688952, DTXSID6049220, SCHEMBL10977267, CTK0H0082, CTK1E8258, KS-00000WQ5, STR00484, ZINC2008823, EINECS 258-741-2, Tox21_202805, ANW-20908, BBL025630, NSC-48073, NSC193522, SBB007595, STL367769, AKOS000119746, AKOS022187337, MCULE-9766241885, NSC-193522, VP50136, NCGC00260351-01, AJ-32486, AK147242, AN-49223, BC227980, CJ-07344, CJ-31079, HC210042, SC-75394, CAS-1450-85-7, AB0010365, AB1003751, DB-042770, RT-000747, CS-0043556, FT-0612773, M0937, ST24049083, ST50769685, K-4647, 450M857, I03-0153, J-008052, F3329-0411, InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7, 59052-72-1, thiopyrimidine, Sc1ncccn1, 2-Mercaptopyridine, Pyrimidine-1-thiol, C4H4N2S, C4-H4-N2-S, RW1789, ZINC01649580, 2(1H)-Pyrimidinethione (8CI,9CI), CID1550489, 2-Mercaptopyrimidine, 97.5% - 10G 10g, 53745-18-9, MPY,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.01g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.15g/mol
Monoisotopic Mass	112.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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