CAS 2349-67-9 2-Amino-5-mercapto-1,3,4-thiadiazole (HCID 2723847)

개요

ATT has been investigated in Pulmonary Tuberculosis.

이름 및 식별자

우선 이름: 2-Amino-5-mercapto-1,3,4-thiadiazole
IUPAC: 5-amino-3H-1,3,4-thiadiazole-2-thione
현지명: 5-아미노-1,3,4-티아디아졸-2-티올
영어명: 5-Amino-1,3,4-thiadiazole-2-thiol
분자식: C2H3N3S2
분자량: 133.2

이름 및 동의어

5-Amino-1,3,4-thiadiazole-2-thiol2349-67-92-Amino-5-mercapto-1,3,4-thiadiazole1,3,4-Thiadiazole-2(3H)-thione, 5-amino-2-AMINO-1,3,4-THIADIAZOLE-5-THIOL5-Amino-2-mercapto-1,3,4-thiadiazole2-Thiol-5-amino-1,3,4-thiadiazole2-Mercapto-5-amino-1,3,4-thiadiazoleB1HEG7V21SNSC-21402NSC-209061DTXSID1051486

이름 더 보기

5-아미노-1,3,4-티아디아졸-2-티올5-아미노-1,3,4-티아디아졸-2-티올(5-AMINO-1,3,4-THIADIAZOLE-2-THIOL)2-Amino-5-mercapto-1,3,4-thiadEAMTDnsc21402NSC 21402usafpd-25

WR-180RefChem:531944DTXCID5030450219-078-4Acetazolamide EP Impurity GUSAF PD-255-Amino-1,3,4-thiadiazole-2(3H)-thione5-amino-3H-1,3,4-thiadiazole-2-thione

데이터베이스 식별자

CAS: 2349-67-9
PubChem CID: 2723847
DTXSID: DTXSID1051486
ChEMBL: CHEMBL372507
UNII: B1HEG7V21S
EC Number: 219-078-4
Nikkaji: J38.328G

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 108 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 129

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 235 °C · 235 °C (dec.)(lit.)
끓는 점: 242.3 · 242.3±23.0 °C(Predicted)
밀도: 1.503 · 1.503 (estimate)
굴절률: 1.58 · 1.5800 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 2 g/L · 2g/L
물리적 상태: 가루
산도 계수 (pKa): 7.8 · 7.80±0.20(Predicted)
색상: 흰색 또는 연한 노란색에서 크림색
수소이온지수(pH): 3.9 · 3.9 (2g/l, H2O, 20℃)
수용성: 불용성
BRN: 81728 · 81728
InChI: 1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
InChIKey: GDGIVSREGUOIJZ-UHFFFAOYSA-N
SMILES: Nc1nnc(S)s1
NIST: 2 · 2-Amino-5-mercapto-1,3,4-thiadiazole(2349-67-9)
EPA: 1 · 1,3,4-Thiadiazole-2(3H)-thione, 5-amino- (2349-67-9)

화학적 성질

White or pale yellow to cream powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,3,4-Thiadiazole-2(3H)-thione, 5-amino-

Status: No longer Valid Update: 21-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16210

1,3,4-Thiadiazole-2(3H)-thione, 5-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XI4550000
HS 번호: 29349990
risk_code: 36/37/38-22-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37
기존화학 물질: KE-01603
F 고인화성물질: 9-13-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,3,4-Thiadiazole-2(3H)-thione, 5-amino-: ACTIVE

응용 분야

용도5-Amino-1,3,4-thiadiazole-2-thiol is a thiadiazole derivative with antibacterial acitivity used in the preparation of herbicides as well as carbonic anhydrase inhibitors.

상·하류 제품 정보

상류 원료

5-메틸-1,3,4-티아디아졸-2-티올 하이드라진 황산염 인산 칼슘, 삼염기성 레늄 2,5-디시오 비우레아 싸이오사이안산암모늄(로단암몬)이황화탄소 티오세미카바지트

하류 제품

2-(아세타미도)-5-(클로로설포닐)-1,3,4-티아디아졸 2-아세틸아미노-5-메르캅토-1,3,4-티아디아졸 2-아미노-1,3,4-티아디아졸 2-아미노-5-(메틸티오)-1,3,4-티아디아졸 5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine 5-(이소프로필티오)-1,3,4-티아디아졸-2-아민 ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate 에틸2-[(5-아미노-1,3,4-티아디아졸-2-일)티오]아세테이트

공급사100 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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

화합물 노트

불러오는 중…

5-아미노-1,3,4-티아디아졸-2-티올

기본 정보

개요