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기본 정보
- CAS
726-25-0- 표준 SMILES
S=C(NCc1ccccc1)Nc1ccccc1- InChIKey
NXCBDDGSOXJEFZ-UHFFFAOYSA-N- 분자식
- C14H14N2S
- 평균 분자량
- 242.347 g/mol
- 단동위원소 질량
- 242.08776945
이름 및 식별자
- 우선 이름
- 1-Benzyl-3-phenyl-2-thiourea
- IUPAC
- N-Benzyl-N'-phenylthiourea
- 현지명
- 1-벤질-3-페닐-2-티오우레아
- 영어명
- 1-Benzyl-3-phenyl-2-thiourea
- 분자식
- C14H14N2S
- 분자량
- 242.34
이름 및 동의어
1-벤질-3-페닐-2-티오우레아1-Phenyl-3-benzylthiourea1-Benzyl-3-phenylthioureaN-Phenyl-N'-benzylthioureaN-Benzyl-N'-phenylthiourea1-BENZYL-3-PHENYL-2-THIOUREAThiourea, N-phenyl-N'-(phenylmethyl)-(E)-N-benzyl-N-phenylcarbamimidothioic acid
데이터베이스 식별자
- CAS
726-25-0- PubChem CID
- 668300
- DTXSID
DTXSID70349913- ChEMBL
CHEMBL1910060- EC Number
- 666-418-6
- Nikkaji
- J142.117D
물성
물리화학적 성질
- 녹는점
- 156 · 156-158°C
- 끓는 점
- 377.7 · 377.7±35.0 °C(Predicted)
- 밀도
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 12.68 · 12.68±0.70(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
- InChIKey
- NXCBDDGSOXJEFZ-UHFFFAOYSA-N
- SMILES
- N(C1=CC=CC=C1)C(NCC1=CC=CC=C1)=S
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- ridadr
- UN 2811 6.1/PG III
- HS 번호
- 2930.90.2900
- 포장분류
- III
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
개요1-Benzyl-3-phenyl-2-thiourea (BPTU) is a thiourea derivative that contains benzene rings and polar groups. Its inhibition efficiency is related to the polar functions, acting as active centers for the adsorption. In addition, the presence of multiple benzene rings may increase the molecular coverage density. Therefore, BPTU is expected to become a potential corrosion inhibitor. The results showed that BPTU with a concentration of 2 × 104 M and at the temperature of 30°C could protect the steel surface with the highest inhibition efficiency of 94.99% and 94.30%. High temperature decreased BPTU’s ability to inhibit steel corrosion[1].
공급사57 곳
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