기본 정보
- CAS
3741-80-8- 표준 SMILES
CC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1- InChIKey
VILGDADBAQFRJE-UHFFFAOYSA-N- 분자식
- C18H17N3S4
- 평균 분자량
- 403.6 g/mol
- 단동위원소 질량
- 403.03053225
이름 및 식별자
- 우선 이름
- N-tert-Butyl-di(2-benzothiazolesulfen)amide
- IUPAC
- N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
- 현지명
- N,N-비스[(2-벤조씨아졸릴)씨오]-tert-부틸아민
- 영어명
- N-Benzothiazol-2-ylsulfanyl-N-tert-butyl-benzothiazole-2-sulfenamide
- 분자식
- C18H17N3S4
- 분자량
- 403.6
이름 및 동의어
3741-80-8n-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-Santocure TBSIN-tert-Butyl-di(2-benzothiazolesulfen)amideW472RVB1NUJ668.657EDTXSID1041394EC 407-430-1DI(2-BENZOTHIAZOLESULFEN)AMIDE, N-TERT-BUTYL-RefChem:831160DTXCID9021394
이름 더 보기
N,N-비스[(2-벤조씨아졸릴)씨오]-tert-부틸아민N,N-비스[(2-벤조티아조일)티오]-삼차뷰틸아민N-벤조티아졸-2-일술파닐-N-tert-부틸-벤조티아졸-2-술펜아미드Vulcanization AcceleratorVANAX CPAVANAX 808VANAX 829VANAX 833VANAX PMLVANAX TBSIAccelerator TBSIVulcanization Accelerator TBSIDIMETHYLAMMONIUM HYDROGEN ISOPHTHALATE
407-430-1N-Benzothiazol-2-ylsulfanyl-N-tert-butyl-benzothiazole-2-sulfenamideTBSIN,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amineN-(2-Benzothiazolylthio)-N-(1,1-dimethylethyl)-2-benzothiazolesulfenamideUNII-W472RVB1NUC18H17N3S4SCHEMBL5075489
데이터베이스 식별자
- CAS
3741-80-8- PubChem CID
- 77344
- DTXSID
DTXSID1041394- UNII
- W472RVB1NU
- EC Number
- 407-430-1
- Nikkaji
- J668.657E
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 424
물리화학적 성질
- 녹는점
- 143 · 143-144 °C
- 끓는 점
- 545.8 · 545.8±33.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 증기압
- 0.001 Pa · 0.001Pa at 20℃
- 산도 계수 (pKa)
- 0.39 · 0.39±0.10(Predicted)
- 수용성
- 1.75 μg/L · 1.75μg/L at 20℃
- Henry's Law Constant
- 2.4 · 2.4×108 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 6.7 at · 6.7 at 20℃
- EPA
- 2 · 2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)- (3741-80-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (92.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide (EC: 407-430-1)
2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Acute 1 (92.3%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
안전 데이터
- tsca
- TSCA listed
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 기존화학 물질
- 97-3-110
화학 및 산업
용도 및 제조
General Manufacturing Information2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-: ACTIVE
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