5-(Trifluoromethyl)-1,3,4-thiadiazole-2(3H)-thione

HCID 178506284

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37461-62-4
표준 SMILES: FC(F)(F)c1nnc(S)s1
InChIKey: MYBNRTPEGGJIBD-UHFFFAOYSA-N
분자식: C3HF3N2S2
평균 분자량: 186.18 g/mol
단동위원소 질량: 185.95332487

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)-1,3,4-thiadiazole-2(3H)-thione
IUPAC: 5-(trifluoromethyl)-3H-1,3,4-thiadiazole-2-thione
영어명: 5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL HYDROSULFIDE
분자식: C3HF3N2S2
분자량: 186.18

이름 및 동의어

37461-62-45-(Trifluoromethyl)-1,3,4-thiadiazole-2(3H)-thione5-(trifluoromethyl)-1,3,4-thiadiazole-2-thiolDTXSID80629718RefChem:531731DTXCID80580471856-891-95-TRIFLUOROMETHYL-[1,3,4]THIADIAZOLE-2-THIOL5-(TRIFLUOROMETHYL)-3H-1,3,4-THIADIAZOLE-2-THIONEMFCD06803666C3HF3N2S2SCHEMBL3394308

이름 더 보기

AKOS TOT-07121,3,4-Thiadiazole-2(3H)-thione, 5-(trifluoromethyl)-5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL HYDROSULFIDE

SCHEMBL5074604SCHEMBL18071624MBA46162SBB090392AKOS003677196AS-5846AT18934CS-0309105

데이터베이스 식별자

CAS: 37461-62-4
PubChem CID: 23006972

물성

구조 계산 물성

XLogP: 2
극성 표면적: 81.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 196

물리화학적 성질

끓는 점: 127.2 · 127.2±50.0 °C(Predicted)
밀도: 1.88 · 1.88±0.1 g/cm3(Predicted)
산도 계수 (pKa): 4.82 · 4.82±0.40(Predicted)

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.