Thioguanine

C₅H₅N₅SCAS 154-42-7167.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅N₅S
Molar mass: 167.19 g/mol
Exact mass: 167.0266 Da
Melting point: above 360 °C
logP: 0.05Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 0

Identifiers

CAS number

154-42-7

SMILES

N=c1nc(S)c2nc[nH]c2[nH]1

InChIKey

WYWHKKSPHMUBEB-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all

Tioguanin
6H-Purine-6-thione, 2-amino-1,9-dihydro-
6H-Purine-6-thione, 2-amino-1,7-dihydro-
Purine-6(1H)-thione, 2-amino-
Purine-6(1H)-thione, 2,3-dihydro-2-imino-
Purine-6-thiol, 2-amino-
2-Amino-1,9-dihydro-6H-purine-6-thione
NSC 752
Tabloid
6-Thioguanine
Guanine, thio-
2-Amino-6-mercaptopurine
6-Mercaptoguanine
2-Aminopurine-6-thiol
Tioguanine
2-Amino-9H-purine-6(1H)-thione
NSC 76504
Lanvis
2-Amino-9H-purine-6-thiol
Thioguanine tabloid
2-Amino-3,7-dihydropurine-6-thione
2-Amino-1H-purine-6(7H)-thione
2-Amino-1,9-dihydro-purine-6-thione
2-Amino-7H-purine-6-thiol
6-TG

Work with Thioguanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Guanine73-40-560 % similar 6-O-Methylguanine20535-83-555 % similar Guanine hydrochloride635-39-255 % similar Guanine sulfate10333-92-349 % similar O6-Benzylguanine19916-73-547 % similar 3,9-Dihydro-1H-purine-2,6-dithione5437-25-243 % similar 6-Thioxanthine2002-59-741 % similar Lomeguatrib192441-08-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-1,7-dihydro-6H-pyrazolo[3,4-D]pyrimidine-6-thione23771-52-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook