4-아미노티오펜-2-카복실산

4-Aminothiophene-2-carboxylic acid

HCID 6456065

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89499-38-7
표준 SMILES: Nc1csc(C(=O)O)c1
InChIKey: CQGOUQDVWSOUPD-UHFFFAOYSA-N
분자식: C5H5NO2S
평균 분자량: 143.17 g/mol
단동위원소 질량: 143.00409958

이름 및 식별자

우선 이름: 4-Aminothiophene-2-carboxylic acid
IUPAC: 4-aminothiophene-2-carboxylic acid
현지명: 4-아미노티오펜-2-카복실산
영어명: 4-Aminothiophene-2-carboxylic acid
분자식: C5H5NO2S
분자량: 143.16

이름 및 동의어

4-Aminothiophene-2-carboxylic acid89499-38-74-Amino-2-thiophenecarboxylic acidDTXSID20424183RefChem:518319DTXCID90375017836-190-4MFCD08752506SDCCGMLS-0064809.P0014-aminothiophenecarboxylicSCHEMBL3116336SCHEMBL6085300

이름 더 보기

4-아미노티오펜-2-카복실산2-Thiophenecarboxylic acid, 4-amino-2-Thiophenecarboxylicacid,4-amino-(9CI)4-AMINOTHIOPHENE-2-CARBOXYLIC ACID USP/EP/BP

4-Aminothiophene-2-carboxylicacidCQGOUQDVWSOUPD-UHFFFAOYSA-NAC7156AKOS006240984BS-23942DA-21452SY026146CS-0213395

데이터베이스 식별자

CAS: 89499-38-7
PubChem CID: 6456065
DTXSID: DTXSID20424183
EC Number: 836-190-4

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 91.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 264 · 264-266 °C
끓는 점: 435.8 · 435.8±30.0 °C(Predicted)
밀도: 1.527 · 1.527±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.04 · 3.04±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C5H5NO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,6H2,(H,7,8)
InChIKey: CQGOUQDVWSOUPD-UHFFFAOYSA-N
SMILES: Nc1csc(c1)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Amino-2-thiophenecarboxylic Acid, is involved in the preparation of (S)-4-Amino-4,-dihydro-2-thiophenecarboxylic Acid, which is a heterocyclic mimimc of the natural product Gabaculine (G111000), a mechanism-base inactivator of γ-aminobutyric acid aminotransferase (GABA- AT).

공급사16 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海陶素生化科技有限公司021-33632979 · [email protected]

诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]

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