AG00DIR5

4537-73-9 | 2-Pyrimidinecarbothioamide (9CI)

AG00DIR5

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	4537-73-9
Catalog Number	AG00DIR5(AGN-PC-041CFB)
Chemical Name	2-Pyrimidinecarbothioamide (9CI)
IUPAC Name	pyrimidine-2-carbothioamide
InChI	InChI=1S/C5H5N3S/c6-4(9)5-7-2-1-3-8-5/h1-3H,(H2,6,9)
InChI Key	QAUHVPUYFSGVME-UHFFFAOYSA-N
MDL Number	MFCD12093703
Molecular Formula	C5H5N3S
Molecular Weight	139.1783
SMILES	S=C(C1=NC=CC=N1)N
Synonyms	pyrimidine-2-carbothioamide, 4537-73-9, 2-Pyrimidinecarbothioamide, pyrimidine-2-thiocarboxamide, MFCD12093703, 2-Pyrimidinecarbothioamide (9CI), SCHEMBL3667124, CTK1D2190, DTXSID70632175, QAUHVPUYFSGVME-UHFFFAOYSA-N, AC1Q5001, ALBB-016442, 3907AE, STL301974, ZINC36378515, AKOS009823196, MCULE-1285467308, KS-00001B52, AJ-92707, AS-54903, CS-0037234, EN300-44187, Pyrimidine-2-thiocarboxamide, 97%, AldrichCPR, C5H5N3S, T2706,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.02g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.176g/mol
Monoisotopic Mass	139.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number