기본 정보
- CAS
1006957-05-6- 표준 SMILES
Cc1nn(CSCC(=O)O)c(C)c1[N+](=O)[O-]- InChIKey
JIBZDJWNVMUECW-UHFFFAOYSA-N- 분자식
- C8H11N3O4S
- 평균 분자량
- 245.26 g/mol
- 단동위원소 질량
- 245.04702701
이름 및 식별자
- 우선 이름
- 2-(((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)thio)acetic acid
- IUPAC
- 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]acetic acid
- 영어명
- ([(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio)acetic acid
- 분자식
- C8H11N3O4S
- 분자량
- 245.26
이름 및 동의어
1006957-05-62-(((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)thio)acetic acid{[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO}ACETIC ACID2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid([(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio)acetic acid2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]acetic acid2-[(3,5-dimethyl-4-nitropyrazolyl)methylthio]acetic acid{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acidMFCD04970048GQB95705SBB022310STK349689
이름 더 보기
(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethylsulfanyl)-acetic acidAcetic acid, 2-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio]-
AKOS000310723AKOS015922062ST45123251EN300-926992-(((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)thio)aceticacid2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]acetic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 283
화학 및 산업
공급사3 곳
常州合晶化工有限公司85528066 13775048983 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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