4-Aminopyrimidine-2-thiol
Names
[ CAS No. ]:
333-49-3
[ Name ]:
4-Aminopyrimidine-2-thiol
[Synonym ]:
6-AMino-2-pyriMidinethione
THIOCYTOSINE
2-THIOCYTOSINE
2-Pyrimidinethiol, 4-amino-
4-Aminopyrimidine-2-thiol
4-Amino-2(1H)-pyrimidinethione
4-aminopyrimidine-2-thione
4-amino-2-pyrimidine-thiol
Cytosine,thio
Cytosine,2-thio
MFCD00057341
2-mercapto-4-Aminopyrimidine
4-AMINO-2-THIOPYRIMIDINE
4-aminopyrimidine-2(1H)-thione
4-AMinothio-2-pyriMidinone
EINECS 206-374-3
4-Amino-2-mercaptopyrimidine
4-Amino-6-mercaptopurine
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
347.7±34.0 °C at 760 mmHg
[ Melting Point ]:
285-290 °C (dec.)(lit.)
[ Molecular Formula ]:
C4H5N3S
[ Molecular Weight ]:
127.168
[ Flash Point ]:
164.1±25.7 °C
[ Exact Mass ]:
127.020416
[ PSA ]:
90.60000
[ LogP ]:
-2.39
[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C
[ Index of Refraction ]:
1.694
[ Storage condition ]:
-20?C Freezer
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UW0520000
- CHEMICAL NAME :
- 2(1H)-Pyrimidinethione, 4-amino-
- CAS REGISTRY NUMBER :
- 333-49-3
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C4-H5-N3-S
- MOLECULAR WEIGHT :
- 127.18
- WISWESSER LINE NOTATION :
- T6MYNJ BUS DZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 255 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 5 mmol/L
- REFERENCE :
- CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK) V.1- 1969- Volume(issue)/page/year: 5,97,1972
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xi
[ Safety Phrases ]:
S22-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
UW0520000
[ HS Code ]:
2933599090
Synthetic Route
Customs
[ HS Code ]: 2933599090
[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
J. Mol. Model. 18(1) , 11-26, (2012)
A potential antileukemic and anticancer agent, 2-thiocytosine (2-TC), has been studied experimentally in the solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the quantum ...
Proton-coupled hole transfer in X-irradiated doped crystalline cytosine.H2O.J. Phys. Chem. A 112(16) , 3597-606, (2008)
Following exposure to X-irradiation at low temperatures, the main reactions taking place in single crystals of cytosine monohydrate doped with minute amounts of 2-thiocytosine are hole transfer (HT) f...
Theoretical and matrix-isolation experimental studies on 2-thiocytosine and 5-fluoro-2-thiocytosine.Biochim. Biophys. Acta 1172(3) , 239-46, (1993)
2-Thiocytosine (s2Cyt) and 5-fluoro-2-thiocytosine (f5s2Cyt) were studied by means of IR spectroscopy under different environmental conditions: isolated in low-temperature inert gas matrices, associat...