2,4-디메틸티아졸-5-카르복실산

Dimethyl-1,3-thiazole-5-carboxylic acid

HCID 736488CAS 53137-27-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1nc(C)c(C(=O)O)s1
InChIKey
MQGBARXPCXAFRZ-UHFFFAOYSA-N
분자식
C6H7NO2S
평균 분자량
157.19 g/mol
단동위원소 질량
157.01974964

이름 및 식별자

우선 이름
Dimethyl-1,3-thiazole-5-carboxylic acid
IUPAC
2,4-dimethyl-1,3-thiazole-5-carboxylic acid
현지명
2,4-디메틸티아졸-5-카르복실산
영어명
2,4-Dimethylthiazole-5-carboxylic acid
분자식
C6H7NO2S
분자량
157.19

이름 및 동의어

dimethyl-1,3-thiazole-5-carboxylic acidRefChem:588445673-118-92,4-Dimethylthiazole-5-carboxylic acid53137-27-22,4-Dimethyl-1,3-thiazole-5-carboxylic acid5-thiazolecarboxylic acid, 2,4-dimethyl-MFCD000529432,4-dimethyl-5-thiazolecarboxylic acidF0804-15642,4-Dimethyl-thiazole-5-carboxylic acidA1EM7
이름 더 보기
2,4-디메틸티아졸-5-카르복실산AKOS BB-8977BUTTPARK 37\12-43AKOS BBS-00004449RARECHEM AL BE 1354TIMTEC-BB SBB005433IFLAB-BB F1912-00285-Carboxy-2,4-dimethyl-1,3-thiazole2,4-Dimethylthiazol-5-carboxylic acid
MLS000703159SCHEMBL286332orb30272695-Carboxy-2,4-dimethylthiazoleCHEMBL1574902DTXSID30353036CHEBI:194729MQGBARXPCXAFRZ-UHFFFAOYSA-N

데이터베이스 식별자

CAS
53137-27-2
PubChem CID
736488
DTXSID
DTXSID30353036
ChEMBL
CHEMBL1574902
ChEBI
CHEBI:194729
EC Number
673-118-9

물성

구조 계산 물성

XLogP
1.6
극성 표면적
78.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Solubility>23.6 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
235 °C · 235 °C (dec.)
저장 조건
2 · 2-8°C
용해도
25 mg/ml; · DMF: 25 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml
물리적 상태
powder to crystal
색상
White to Orange to Green
InChI
1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)

화학적 성질

White to yellow-orange solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)

안전 데이터

wgk
3
HS 번호
29341000
risk_code
36/37/38
hazard_code
Xi
safety_code
22-24/25-37/39-26
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도2,4-Dimethylthiazole-5-carboxylic acid is a highly functionalized and biased thiazole used for drug discovery. It is used as a heterocyclic building block to specifically modify lead compounds.

상·하류 제품 정보

공급사50 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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