기본 정보
- CAS
6972-05-0- 표준 SMILES
CN(C)C(N)=S- InChIKey
ZQGWBPQBZHMUFG-UHFFFAOYSA-N- 분자식
- C3H8N2S
- 평균 분자량
- 104.18 g/mol
- 단동위원소 질량
- 104.04081944
이름 및 식별자
- 우선 이름
- 1,1-Dimethyl-2-thiourea
- IUPAC
- 1,1-dimethylthiourea
- 영어명
- 1,1-Dimethyl-thiourea
- 분자식
- C3H8N2S
- 분자량
- 104.17
이름 및 동의어
N,N-Dimethylthiourea1,1-Dimethyl-2-thioureaE9F6NSU1N5EINECS 230-204-7NSC 67246NSC-67246UNII-E9F6NSU1N5AI3-17358DTXSID80220007RefChem:71100DTXCID40142498230-204-7
이름 더 보기
Thiourea, N,N-dimethyl- (9ci)1,1-Dimethylthiourea - [D94110]Urea, 1,1-dimethyl-2-thio- (8ci)
ZQGWBPQBZHMUFG-UHFFFAOYSA-N1,1-Dimethylthiourea6972-05-0Thiourea, N,N-dimethyl-1,1-dimethyl-thioureaUrea, 1,1-dimethyl-2-thio-MFCD00060474NSC67246
데이터베이스 식별자
- CAS
6972-05-0- PubChem CID
- 3034192
- DTXSID
DTXSID80220007- UNII
- E9F6NSU1N5
- EC Number
- 230-204-7
- Nikkaji
- J8.870F
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 61.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 59
물리화학적 성질
- 녹는점
- 163 · 163-164 °C
- 끓는 점
- 144.6 · 144.6±23.0 °C(Predicted)
- 밀도
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.52 · 15.52±0.29(Predicted)
- InChI
- InChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
- InChIKey
- ZQGWBPQBZHMUFG-UHFFFAOYSA-N
- SMILES
- N(C)(C)C(N)=S
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
하류 제품
공급사51 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海基玉医药科技有限公司02161739128 13816953660 · [email protected]
Aladdin Scientific[email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
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