3-메틸-2-(메틸티오)벤조티아졸륨p-톨루엔설포네이트

Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)

HCID 41464

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55514-14-2
표준 SMILES: CSc1sc2ccccc2[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey: SGABZOJLSUJGFH-UHFFFAOYSA-M
분자식: C16H17NO3S3
평균 분자량: 367.5 g/mol
단동위원소 질량: 367.03705692

이름 및 식별자

우선 이름: Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
IUPAC: 4-methylbenzenesulfonate;3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
현지명: 3-메틸-2-(메틸티오)벤조티아졸륨p-톨루엔설포네이트
영어명: 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
분자식: C16H17NO3S3
분자량: 367.50608

이름 및 동의어

55514-14-2NSC 84235EINECS 259-687-23-Methyl-2-methylthiobenzothiozolium p-toluenesulfonate3-Methyl-2-(methylthio)-benzothiazolium p-toluenesulfonateBenzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID1069031BENZOTHIAZOLIUM, 3-METHYL-2-METHYLTHIO-, p-TOLUENESULFONATEBenzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonicacid (1:1)RefChem:118662DTXCID8041907

이름 더 보기

3-메틸-2-(메틸티오)벤조티아졸륨p-톨루엔설포네이트3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium3-methyl-2-(methylthioyl)benzenebenzothiazoleparamethylbenzenesulfonylacidsalt

Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonicacid (1:1) (9CI)3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonateMFCD000317633-Methyl-2-(methylthio)benzothiazolium p-toluenesulphonate4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium4-methylbenzenesulfonate;3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium3-methyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate3-Methyl-2-(methylthio)benzothiazolium tosylate

데이터베이스 식별자

CAS: 55514-14-2
PubChem CID: 41464
DTXSID: DTXSID1069031
EC Number: 259-687-2

물성

구조 계산 물성

극성 표면적: 123 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 23
형식 전하: 0
복잡도: 356

물리화학적 성질

저장 조건: 2 · 2-8°C, sealed storage, away from moisture
EPA: 3 · Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1) (55514-14-2)