Methyl 2-[(cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
590358-29-5- 표준 SMILES
COC(=O)c1c(NC(=O)CC#N)sc2c1CCC(C)C2- InChIKey
JECSICNSBPKIRB-UHFFFAOYSA-N- 분자식
- C14H16N2O3S
- 평균 분자량
- 292.36 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2-[(cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- methyl 2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- methyl 2-[(cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C14H16N2O3S
- 분자량
- 292.35
이름 및 동의어
590358-29-5methyl 2-[(cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateMethyl 2-(2-cyanoacetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatemethyl 2-(2-cyanoacetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethyl 2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateMFCD03946153ALBB-008573BBL017079STK440504AKOS003325095AKOS016345604Methyl 2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
이름 더 보기
IVK/8167638methyl 2-[(cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylmethyl 2-(2-cyanoethanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate2-[(2-cyanoacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester2-[(2-cyano-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl esterBenzo[b]thiophene-3-carboxylic acid, 2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester
VS-05833CS-0317523H24819Methyl2-(2-cyanoacetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
590358-29-5
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 445
물리화학적 성질
- 끓는 점
- 556.2 · 556.2±50.0 °C(Predicted)
- 밀도
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.91 · -1.91±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 위험 등급
- IRRITANT
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