2,3-DIHYDRO-2-THIOXO-4-티아졸아세트산에틸에스테르
4-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-, ethyl ester
기본 정보
- CAS
38449-49-9- 표준 SMILES
CCOC(=O)Cc1csc(=S)[nH]1- InChIKey
ZIXKPHHHPPZJFK-UHFFFAOYSA-N- 분자식
- C7H9NO2S2
- 평균 분자량
- 203.3 g/mol
- 단동위원소 질량
- 203.00747088
이름 및 식별자
- 우선 이름
- 4-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-, ethyl ester
- IUPAC
- ethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetate
- 현지명
- 2,3-DIHYDRO-2-THIOXO-4-티아졸아세트산에틸에스테르
- 영어명
- 2,3-Dihydro-2-thioxo-4-thiazoleacetic acid ethyl ester
- 분자식
- C7H9NO2S2
- 분자량
- 203.28
이름 및 동의어
38449-49-94-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-, ethyl esterEINECS 253-937-4Ethyl 2,3-dihydro-2-thioxothiazol-4-acetateDTXSID00885718RefChem:526957DTXCID201025081253-937-4228566-78-7Ethyl2-(2-mercaptothiazol-4-yl)acetateEthyl 2-(2-thioxo-2,3-dihydrothiazol-4-yl)acetateETHYL 2-(2-MERCAPTOTHIAZOL-4-YL)ACETATE
이름 더 보기
2,3-DIHYDRO-2-THIOXO-4-티아졸아세트산에틸에스테르Ethyl 2,3-dihydro-2-thio-4-thiazolylacetate4-ETHOXYCARBONYLMETHYL-4-THIAZOLINE-2-THIONE2,3-dihydro-2-thioxo-4-thiazoleaceticaciethylester2,3-Dihydro-2-thioxo-4-thiazoleacetic acid ethyl ester,96%2,3-DIHYDRO-2-THIOXO-4-THIAZOLEACETIC ACID ETHYL ESTER 96%
2,3-dihydro-2-thioxo-4-thiazoleacetic acid ethyl esterethyl 2-(2-sulfanyl-1,3-thiazol-4-yl)acetateethyl 2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetateMFCD00142794ethyl 2-(2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)acetateETHYL (2-MERCAPTO-1,3-THIAZOL-4-YL)ACETATEMFCD01234153SCHEMBL1810023
데이터베이스 식별자
- CAS
38449-49-9- PubChem CID
- 2735011
- DTXSID
DTXSID00885718- EC Number
- 253-937-4
- Nikkaji
- J294.662I
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 95.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 238
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 136 · 136-144 °C
- 끓는 점
- 304.1 · 304.1±44.0 °C(Predicted)
- 밀도
- 1.3988 · 1.3988 (rough estimate)
- 굴절률
- 1.61 · 1.6100 (estimate)
- 산도 계수 (pKa)
- 7.86 · 7.86±0.40(Predicted)
- EPA
- 4 · 4-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-, ethyl ester (38449-49-9)
화학적 성질
light brown fine powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
- safety_code
- 24/25
화학 및 산업
용도 및 제조
General Manufacturing Information4-Thiazoleacetic acid, 2,3-dihydro-2-thioxo-, ethyl ester: ACTIVE
응용 분야
용도Ethyl 2-(2-Mercaptothiazol-4-yl)acetate is used as a reactant in the preparation of thiazoles.
관련 반응
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