CAS 89604-91-1 S-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)-methoxyiminothioacetate (HCID 13826586)

기본 정보

CAS: 89604-91-1
표준 SMILES: CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1nsc(N)n1
InChIKey: XJESSAAEFWMELV-PXNMLYILSA-N
분자식: C12H9N5O2S3
평균 분자량: 351.4 g/mol
단동위원소 질량: 350.99183807

이름 및 식별자

우선 이름: S-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)-methoxyiminothioacetate
IUPAC: S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoethanethioate
영어명: (S)-2-Benzothiazolyl (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminothioacetate
분자식: C12H9N5O2S3
분자량: 351.43

이름 및 동의어

EC 453-580-6RefChem:884202S-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)-methoxyiminothioacetate453-580-689604-91-1S-2-benzothiazolyl (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino thioacetateS-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoethanethioateS-2-Benzothiazolyl (alphaZ)-5-amino-alpha-(methoxyimino)-1,2,4-thiadiazole-3-ethanethioateS-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)- methoxyiminothioacetateC12H9N5O2S3SCHEMBL2453598XJESSAAEFWMELV-PXNMLYILSA-N

이름 더 보기

DAMAATDMZeaMCefoperazone active ester(Z)-2-(5-AMino-1,2,4-Thiadiazo...S-2-Benzothiazolyl (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-m...DIETHYL THIOPHOSPHORYL-(Z)-(2-AMINOTHIAZOL-4-YL)-(METHOXYIMINO)ACETATEDiethyl thiophosphoryl (Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetateO,O-DIETHYLTHIOPHOSPHORYL (Z)-2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETATE

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 185 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 452

물리화학적 성질

녹는점: 164 · 164-165 °C
끓는 점: 565.2 · 565.2±33.0 °C(Predicted)
밀도: 1.73 · 1.73±0.1 g/cm3(Predicted)
산도 계수 (pKa): -1.46 · -1.46±0.10(Predicted)

화학적 성질

Off-white or pale yellow powder

안전 및 규제

유해성 정보

Regulatory InformationREACH registered substance: S-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)-methoxyiminothioacetate (EC: 453-580-6)

안전 데이터

hazard_code: Xi

화학 및 산업

상·하류 제품 정보

상류 원료

2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid 디벤조티아질 디설파이드

공급사49 곳

T&W GROUP021-61551611 13296011611 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

上海波以尔化工有限公司[email protected]

화합물 노트

불러오는 중…

S-Benzothiazol-2-yl (Z)-(5-amino-1,2,4-thiadiazol-3-yl)-methoxyiminothioacetate