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기본 정보
- CAS
5319-77-7- 표준 SMILES
CSc1nnc(N)s1- InChIKey
PCLAZAJARAIGGD-UHFFFAOYSA-N- 분자식
- C3H5N3S2
- 평균 분자량
- 147.2 g/mol
- 단동위원소 질량
- 146.99248952
이름 및 식별자
- 우선 이름
- 5-(Methylsulfanyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-methylsulfanyl-1,3,4-thiadiazol-2-amine
- 현지명
- 2-아미노-5-(메틸티오)-1,3,4-티아디아졸
- 영어명
- 2-AMINO-5-(METHYLTHIO)-1,3,4-THIADIAZOLE
- 분자식
- C3H5N3S2
- 분자량
- 147.22
이름 및 동의어
5-(Methylsulfanyl)-1,3,4-thiadiazol-2-amineRefChem:531394672-510-75319-77-75-(Methylthio)-1,3,4-thiadiazol-2-amine2-Amino-5-(methylthio)-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, 5-(methylthio)-5-methylsulfanyl-1,3,4-thiadiazol-2-amineMFCD001757521,3,4-THIADIAZOLE, 2-AMINO-5-(METHYLTHIO)-2-Amino-5-methylthio-1,3,4-thiadiazole2-Amino-5-methylmercapto-1,3,4-thiadiazole
이름 더 보기
2-아미노-5-(메틸티오)-1,3,4-티아디아졸IFLAB-BB F1386-00884-thiadiazol-2-amine,5-(methylthio)-32-Amino-5-methylthio-1,3,4-thidiazole4-thiadiazole,2-amino-5-(methylthio)-32-Amnio-5-(methylthio)-1,3,4-thiadazole2-AMINO-5-METHYLTHIO-134-THIADIAZOLE 99%5-(Methylthio)-1,3,4-thiadiazole-2-amine
NSC-675245-methylthio-1,3,4-thiadiazole-2-ylamineNSC67524SCHEMBL750885CHEMBL174202orb3030607SCHEMBL9087747DTXSID70201249
데이터베이스 식별자
- CAS
5319-77-7- PubChem CID
- 21390
- DTXSID
DTXSID70201249- ChEMBL
CHEMBL174202- ChEBI
CHEBI:194593- UNII
- 4766G46MED
- EC Number
- 672-510-7
- Nikkaji
- J103.226G
물성
구조 계산 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 78
물리화학적 성질
- 녹는점
- 178 · 178-181 °C(lit.)
- 끓는 점
- 318.1 · 318.1±25.0 °C(Predicted)
- 밀도
- 1.402 · 1.402 (estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 3.37 · 3.37±0.10(Predicted)
- 물리적 상태
- 고체
- InChI
- InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)
- InChIKey
- PCLAZAJARAIGGD-UHFFFAOYSA-N
- SMILES
- S1C(SC)=NN=C1N
화학적 성질
Yellowish crystalline 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]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 2 reports by companies from 2 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 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29349990
- risk_code
- 20/22
- hazard_code
- Xn
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Amino-5-(methylthio)-1,3,4-thiadiazole may be used in the synthesis of 9-methylthio-7,7-dioxo-7,7a-dihydro-5-oxo-7λ6,10-dithia-8,11-diaza-cyclopenta[b] phenantren-6-one by reacting with 4-chloro-2-oxo-2H-chromene-3-sulfonyl chloride.
일반 설명2-Amino-5-(methylthio)-1,3,4-thiadiazole is a 2-amino-5-substituted-1,3,4-thiadiazole. Its density at 25°C is 1.4020g/ml.
상·하류 제품 정보
상류 원료
하류 제품
공급사64 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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