Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

HCID 699501

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 188614-01-9
표준 SMILES: COC(=O)c1ccc2c(c1)NC(=O)CS2
InChIKey: UFSVRHNRNVVBJR-UHFFFAOYSA-N
분자식: C10H9NO3S
평균 분자량: 223.25 g/mol
단동위원소 질량: 223.03031415

이름 및 식별자

우선 이름: Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
IUPAC: methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
영어명: Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
분자식: C10H9NO3S
분자량: 223.25

이름 및 동의어

188614-01-9Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylateDTXSID00351403RefChem:355142DTXCID90302469methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylateMethyl 3-Oxo-2H-1,4-benzothiazine-6-carboxylatemethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylateMFCD00449104methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylatemethyl 3,4-dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylate2H-1,4-benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester

이름 더 보기

Methyl-3-Oxo-3,4-Dihydro-2H-1,3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester3-keto-4H-1,4-benzothiazine-6-carboxylic acid methyl esterMethyl 3,4-dihydro-3-oxo-2H-1,4-benzothiazine-6-carboxylate2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylateMethyl3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate,97%

Oprea1_321390MLS001005223SCHEMBL750896CHEMBL1541443SCHEMBL30248834UFSVRHNRNVVBJR-UHFFFAOYSA-NHMS2686I15ALBB-020421

데이터베이스 식별자

CAS: 188614-01-9
PubChem CID: 699501
DTXSID: DTXSID00351403
ChEMBL: CHEMBL1541443
EC Number: 108-794-1
Nikkaji: J3.231.909B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 80.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 180 · 180-182°
끓는 점: 435.7 · 435.7±45.0 °C(Predicted)
밀도: 1.343 · 1.343±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 12.34 · 12.34±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (100%)

안전 데이터

HS 번호: 2934999090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사53 곳

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