기본 정보
- CAS
98276-75-6- 표준 SMILES
CSc1ncc(C(=O)O)c(C)n1- InChIKey
AOPKZVQATOWLNA-UHFFFAOYSA-N- 분자식
- C7H8N2O2S
- 평균 분자량
- 184.22 g/mol
- 단동위원소 질량
- 184.03064868
이름 및 식별자
- 우선 이름
- 4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
- IUPAC
- 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
- 현지명
- 4-메틸-2-(메틸티오)피리미딘-5-카르복시산
- 영어명
- 4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid
- 분자식
- C7H8N2O2S
- 분자량
- 184.22
이름 및 동의어
98276-75-64-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acidDTXSID30394202RefChem:294182DTXCID803450624-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid4-methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acidMFCD021873914-Methyl-2-(methylthio)-5-pyrimidinecarboxylic Acid5-Pyrimidinecarboxylicacid, 4-methyl-2-(methylthio)-4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid4-Methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid
이름 더 보기
4-메틸-2-(메틸티오)피리미딘-5-카르복시산4-methyl-2-methylsulfanylpyrimidine-5-carboxylicaci4-Methyl-2-(methylsulphanyl)pyrimidine-5-carboxylic acid4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid ,97%4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid - [M70962]4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid≥ 98.5% (HPLC)4-METHYL-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID ISO 9001：2015 REACH
SCHEMBL4762536HMS2208L195-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-SMR000168801MLS000331319MLS001144171CHEMBL1707399AOPKZVQATOWLNA-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
98276-75-6- PubChem CID
- 3613356
- DTXSID
DTXSID30394202- ChEMBL
CHEMBL1707399- EC Number
- 804-336-6
- Nikkaji
- J528.922J
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 88.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 177
물리화학적 성질
- 녹는점
- 169 · 169-171
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
화학적 성질
Light yellow solid
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 29335990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사49 곳
관련 반응
2건
화합물 노트
불러오는 중…