티오벤즈아미드

Thiobenzamide

HCID 683563CAS 2227-79-4

기본 정보

표준 SMILES
NC(=S)c1ccccc1
InChIKey
QIOZLISABUUKJY-UHFFFAOYSA-N
분자식
C7H7NS
평균 분자량
137.2 g/mol
단동위원소 질량
137.0299204

이름 및 식별자

우선 이름
Thiobenzamide
IUPAC
benzenecarbothioamide
현지명
티오벤즈아미드
영어명
Thiobenzamide
분자식
C7H7NS
분자량
137.2

이름 및 동의어

THIOBENZAMIDEBenzenecarbothioamideBenzothioamide2227-79-48799VM9SXCDTXSID8062280RefChem:189418DTXCID3036654218-765-6Benzamide, thio-BenzothiamideTiobenzamide
이름 더 보기
티오벤자마이드티오벤즈아미드thio-benzamidCompound Fr13716Thiobenzamide,95%
MFCD00008060CHEMBL3739883aminophenylmethane-1-thionePhenylthioamideTiobenzamide [Italian]EINECS 218-765-6UNII-8799VM9SXCthio-benzamide

데이터베이스 식별자

CAS
2227-79-4
PubChem CID
683563
DTXSID
DTXSID8062280
ChEMBL
CHEMBL3739883
ChEBI
CHEBI:80418
UNII
8799VM9SXC
EC Number
218-765-6
Nikkaji
J29.488H

물성

구조 계산 물성

XLogP
1.5
극성 표면적
58.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

물리화학적 성질

녹는점
113 · 113-117 °C (lit.)
끓는 점
180 °C · 180 °C
밀도
1.1364 · 1.1364 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
인화점
120 °C · 120°C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

Yellowish-green crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 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

Regulatory InformationBenzenecarbothioamide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)

규제 정보

Regulatory InformationBenzenecarbothioamide: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CV5860000
ridadr
UN 2811 6.1/PG 3
독성
mnt-mus-orl 180 mmol/kg MUREAV 192,141,87
HS 번호
29309090

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Drugs used in the treatment of tuberculosis. They are divided into two main classes: first-line agents, those with the greatest efficacy and acceptable degrees of toxicity used successfully in the great majority of cases; and second-line drugs used in drug-resistant cases or those in which some other patient-related condition has compromised the effectiveness of primary therapy.

용도 및 제조

General Manufacturing InformationBenzenecarbothioamide: ACTIVE

응용 분야

용도Thiobenzamide is useful for the preparation of amide and amidine adducts. It is also used to prepare 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides. Further, it acts as a raw material in organic synthesis.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

관련 반응

134건

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