基本情報
- CAS
51988-14-8- 標準SMILES
O=C(Sc1n[nH]c(=S)s1)c1ccccc1- InChIKey
KIFSWJVHFMQPOS-UHFFFAOYSA-N- 分子式
- C9H6N2OS3
- 平均分子量
- 254.4 g/mol
- 単同位体質量
- 253.96422634
名称と識別子
- 優先名称
- Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester
- IUPAC
- S-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl) benzenecarbothioate
- 現地名
- チオ安息香酸S-(5-メルカプト-1,3,4-チアジアゾール-2-イル)
- 英語名
- (S)-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate
- 分子式
- C9H6N2OS3
- 分子量
- 254.35
名称と別名
51988-14-8EINECS 257-581-0Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester(S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioateDTXSID10686975-Mercapto-1,3,4-thiadiazole-2-thiol benzoateRefChem:563009DTXCID3041116257-581-0phenyl[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methanoneS-(5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl) benzothioateS-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl) benzenecarbothioate
名称をさらに表示
チオ安息香酸S-(5-メルカプト-1,3,4-チアジアゾール-2-イル)ベンゼンカルボチオ酸S-[(4,5-ジヒドロ-5-チオキソ-1,3,4-チアジアゾール)-2-イル]フェニル[(5-スルファニル-1,3,4-チアジアゾール-2-イル)スルファニル]メタノンEcho AEcho SACTOR-TDDSEcho A-MB 4842Mastermix MB 4842vulcanizing agent for CPE2,5-diMercapto-1,3,4-thiadiazole derivatives2,5-Dimercapto-1,3,4-thiadiazole monobenzoate
SCHEMBL1581580SCHEMBL5872730KIFSWJVHFMQPOS-UHFFFAOYSA-NAKOS016012297DS-015973NS00032397EN300-60722S-(5-Sulfanyl-1,3,4-thiadiazol-2-yl) benzenecarbothioate
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 124 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 310
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
物理化学的性質
- 比重(密度)
- 1.54 · 1.54
- 蒸気圧
- 0 · 0-0Pa at 20-25℃
- 外見
- Solid:particulate/powder
- LogP
- 2.05 · 2.05
- EPAの化学物質情報
- Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester (51988-14-8)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester
Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: (S)-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate (EC: 257-581-0)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesStabilizing agent
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester: ACTIVE
応用分野
使用chlorinated polyethylene (CPE)rubber vulcanizing agent;cured for chlorinated polyethylene (CPE);efficient environmental protection Vulcanizing Agent;Cost-Effective;High-Performance Vulcanizing Agent for Chlorinated Polyethylene
サプライヤー19 社
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
烟台恒诺新材料有限公司0535-6397790 18653519533 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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