2-Thiothymine

HCID 720471CAS 636-26-0

Grundinformationen

Standard-SMILES
Cc1c[nH]c(=S)[nH]c1=O
InChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-N
Summenformel
C5H6N2OS
Durchschnittliche Molmasse
142,18 g/mol
Monoisotopische Masse
142,02008381

Überblick

5-methyl-2-thiouracil is a white crystalline solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Thiothymine
IUPAC
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Englischer Name
4-Hydroxy-5-methyl-2-mercaptopyrimidine
Summenformel
C5H6N2OS
Molmasse
142.18

Namen und Synonyme

636-26-05-METHYL-2-THIOURACIL2-ThiothymineThymine, 2-thio-5-methyl-2-sulfanylidene-1H-pyrimidin-4-oneDTXSID9025665DTXCID505665RefChem:4838054-Hydroxy-5-methyl-2-mercaptopyrimidineThiothymine2-Mercapto-5-methylpyrimidin-4-olUracil, 5-methyl-2-thio-
Weitere Namen anzeigen
2-thio-thymin5-Methyl-2-thiouracil>
4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one5-methyl-2-sulfanylpyrimidin-4-ol4(1H)-Pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-4-Hydroxy-2-mercapto-5-methylpyrimidineNSC9377MFCD000097775-Methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

Datenbank-Bezeichner

CAS
636-26-0
PubChem CID
720471
DTXSID
DTXSID9025665
ChEMBL
CHEMBL3186154
EC Number
622-152-2
Nikkaji
J101.276B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0
Polarare Oberfläche (TPSA)
73,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point541 to 547 °F (NTP, 1992)
Physical Description5-methyl-2-thiouracil is a white crystalline solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
283 · 283-286°C
Dichte
1.36 · 1.36
Brechungsindex
1.643 · 1.6430 (estimate)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal
pka
7.71 · pKa 7.71 (Uncertain)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile5-METHYL-2-THIOURACIL is heat sensitive and may be light sensitive.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, dampen the solid spill material with 5% ammonium hydroxide, then transfer the dampened material to a suitable container. Use absorbent paper dampened with 5% ammonium hydroxide to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with 5% ammonium hydroxide followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

tsca
TSCA listed
hs_code
2933599590
RTECS-Nr.
XP2108500
risk_code
22-40-36/37/38
hazard_code
Xi
safety_code
22-36/37-26

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-: INACTIVE

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海埃逸科技有限公司13916181326 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
PharmOrgSyn Laboratories Co., Ltd.+86-021-38228826 +86-13916602830 · [email protected]

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