2-아미노-5-에틸티오-1,3,4-티아디아졸

1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

HCID 101459

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25660-70-2
표준 SMILES: CCSc1nnc(N)s1
InChIKey: VWRHSNKTSSIMGE-UHFFFAOYSA-N
분자식: C4H7N3S2
평균 분자량: 161.3 g/mol
단동위원소 질량: 161.00813958

이름 및 식별자

우선 이름: 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-
IUPAC: 5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
현지명: 2-아미노-5-에틸티오-1,3,4-티아디아졸
영어명: 2-Amino-5-ethylthio-1,3,4-thiadiazole
분자식: C4H7N3S2
분자량: 161.25

이름 및 동의어

25660-70-25-(Ethylthio)-1,3,4-thiadiazol-2-amine2-Amino-5-ethylthio-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-9LN2D4YF1EEINECS 247-169-9UNII-9LN2D4YF1ENSC 522480NSC-5224805-Amino-2-(ethylthio)-1,3,4-thiadiazoleDTXSID60671212-AMINO-5-ETHYLSULFANYL-1,3,4-THIADIAZOLE

이름 더 보기

2-아미노-5-에틸티오-1,3,4-티아디아졸AURORA 22845AKOS BBS-00007999IFLAB-BB F1386-0086LABOTEST-BB LT000807394-thiadiazol-2-amine,5-(ethylthio)-32-AMINO-5-THIOETHYL-1,3,4-THIADIAZOLE5-AMINO-1,3,4-THIODIAZOLE-2-ETHANETHIOL5-(ethylthio)-1,3,4-thiadiazole-2-amine

RefChem:72247DTXCID1037353InChI=1/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6VWRHSNKTSSIMGE-UHFFFAOYSA-N2-Amino-5-(ethylthio)-1,3,4-thiadiazole5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-amine5-ethylsulfanyl-1,3,4-thiadiazol-2-amineMFCD00040401

데이터베이스 식별자

CAS: 25660-70-2
PubChem CID: 101459
DTXSID: DTXSID6067121
ChEMBL: CHEMBL572180
ChEBI: CHEBI:194786
UNII: 9LN2D4YF1E
EC Number: 247-169-9
Nikkaji: J113.044G

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 105 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 89

물리화학적 성질

녹는점: 135 · 135-137 °C(lit.)
밀도: 1.328 · 1.328 (estimate)
굴절률: 1.58 · 1.5800 (estimate)
물리적 상태: 고체
InChI: 1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)
InChIKey: VWRHSNKTSSIMGE-UHFFFAOYSA-N
SMILES: CCSc1nnc(N)s1
EPA: 1 · 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)- (25660-70-2)

화학적 성질

YELLOW FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (20%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29349990
risk_code: 36/37/38-20/22
hazard_code: Xn,Xi
safety_code: 24/25-23
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-: INACTIVE

응용 분야

일반 설명2-Amino-5-(ethylthio)-1,3,4-thiadiazole is an inhibitor of copper corrosion. Effect of 2-amino-5-ethylthio-1,3,4-thiadiazole on the copper corrosion in aerated HCl solution has been investigated.