에틸2-[(5-아미노-1,3,4-티아디아졸-2-일)티오]아세테이트

Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

HCID 351912CAS 32418-24-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CSc1nnc(N)s1
InChIKey: IYLGYUIQSDVGCP-UHFFFAOYSA-N
분자식: C6H9N3O2S2
평균 분자량: 219.3 g/mol
단동위원소 질량: 219.01361889

이름 및 식별자

우선 이름: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
IUPAC: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
현지명: 에틸2-[(5-아미노-1,3,4-티아디아졸-2-일)티오]아세테이트
영어명: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate
분자식: C6H9N3O2S2
분자량: 219.28

이름 및 동의어

ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)sulfanyl)acetateRefChem:593573869-097-232418-24-9Ethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetateethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateEthyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateMFCD00173723Acetic acid,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl esterethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-(5-amino-1,3,4-thiadiazol-2-ylthio)acetate

이름 더 보기

에틸2-[(5-아미노-1,3,4-티아디아졸-2-일)티오]아세테이트Acetic acid, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester

NSC523973Ethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulphanyl]acetateMaybridge1_000140MixCom1_000272MLS000057768SCHEMBL999575CHEMBL1330444DTXSID90326105

데이터베이스 식별자

CAS: 32418-24-9
PubChem CID: 351912
DTXSID: DTXSID90326105
ChEMBL: CHEMBL1330444
EC Number: 869-097-2

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 132 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 181

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.