AG00BY97

333-49-3 | 4-AMINO-2-MERCAPTOPYRIMIDINE

AG00BY97

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CAS Number	333-49-3
Catalog Number	AG00BY97(AGN-PC-0O90TB)
Chemical Name	4-AMINO-2-MERCAPTOPYRIMIDINE
EC Number	206-374-3
IUPAC Name	6-amino-1H-pyrimidine-2-thione
InChI	InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChI Key	DCPSTSVLRXOYGS-UHFFFAOYSA-N
MDL Number	MFCD00057341
Molecular Formula	C4H5N3S
Molecular Weight	127.1676
SMILES	SC1=NC=CC(N)=N1
Synonyms	2-thiocytosine, 4-Amino-2-mercaptopyrimidine, 2-Thiocytosine, 333-49-3, 4-Aminopyrimidine-2-thiol, Thiocytosine, Cytosine, thio-, Cytosine, 2-thio-, 2(1H)-Pyrimidinethione, 4-amino-, 2(1H)-Pyrimidinone, 4-aminothio-, 4-Amino-2(1H)-pyrimidinethione, EINECS 206-374-3, 4-Amino-2-thiopyrimidine, NSC 211571, AI3-52256, 4-amino-1H-pyrimidine-2-thione, 6-amino-1H-pyrimidine-2-thione, DCPSTSVLRXOYGS-UHFFFAOYSA-N, 2(1H)-Pyrimidinethione, 6-amino-, GEO-00152, 139424-17-2, 4-Amino-2-mercaptopyrimidine, 97%, NSC 45755, 2-Thiocytosine 97%, 2-Thiocytosine, 97%, AC1MC4IU, 4-Aminothio-2-pyrimidinone, 6-Amino-2-pyrimidinethione, AC1Q52OU, SCHEMBL20718, 107759-90-0, 2-Pyrimidinethiol, 4-amino-, 4-Amino-2-sulphanylpyrimidine, 4-imino-3H-pyrimidine-2-thiol, DTXSID0059823, 4-aminopyrimidine-2(1H)-thione, CTK4H0436, CTK7E0220, CTK8G9251, 6-Aminopyrimidine-2(1H)-thione, OR1193T, 6-azanyl-1H-pyrimidine-2-thione, 2(1H)-Pyrimidinethione,6-amino-, 2(1H)-Pyrimidinethione, 3,4-dihydro-4-imino-, (Z)- (9CI), NSC45755, ZINC4528739, ZX-AT009107, 4-Amino-2(1H)-pyrimidinethione #, ACM333493, BBL100192, FCH948841, MFCD00057341, NSC-45755, NSC211571, SBB005532, STL553555, AKOS001448300, AKOS006223224, AKOS024015281, CA-1120, FCH1410717, FCH1600618, MCULE-4505027373, NSC-211571, 6-amino-1,2-dihydropyrimidine-2-thione, ACM139424172, CC-17741, HC210156, SC-58083, ST059824, DB-048390, LS-135598, CS-0078723, FT-0617466, X-4248, A821739, C-01083, I03-0727, J-019158, Nc1ccnc(S)n1, 4-Amino-2-thiouracil, C4H5N3S, C4-H5-N3-S, 2-Pyrimidinethiol, 4-amino- (9CI), CID2724245, 2-Pyrimidinethiol,1,4-dihydro-4-imino-, 2-Pyrimidinethiol,1,6-dihydro-6-imino-, 2-Pyrimidinethiol, 1,4-dihydro-4-imino- (9CI), 2-Pyrimidinethiol, 1,6-dihydro-6-imino- (9CI), 2(1H)-Pyrimidinethione, 3,4-dihydro-4-imino- (9CI), 2(1H)-Pyrimidinethione, 4-amino- (6CI,7CI,8CI,9CI), 139424-18-3, 140907-24-0, 139424-19-4,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.02g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	127.165g/mol
Monoisotopic Mass	127.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number