2-Thiothymine

HCID 720471CAS 636-26-0

기본 정보

표준 SMILES
Cc1c[nH]c(=S)[nH]c1=O
InChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-N
분자식
C5H6N2OS
평균 분자량
142.18 g/mol
단동위원소 질량
142.02008381

개요

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

이름 및 식별자

우선 이름
2-Thiothymine
IUPAC
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
영어명
4-Hydroxy-5-methyl-2-mercaptopyrimidine
분자식
C5H6N2OS
분자량
142.18

이름 및 동의어

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-
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0
극성 표면적
73.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점
283 · 283-286°C
밀도
1.36 · 1.36
굴절률
1.643 · 1.6430 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
7.71 · pKa 7.71 (Uncertain)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

안전 데이터

tsca
TSCA listed
rtecs
XP2108500
HS 번호
2933599590
risk_code
22-40-36/37/38
hazard_code
Xi
safety_code
22-36/37-26

화학 및 산업

용도 및 제조

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

응용 분야

일반 설명White crystalline solid.

공급사50 곳

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]

관련 반응

6건

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