3-메틸로다닌

4-Thiazolidinone, 3-methyl-2-thioxo-

HCID 72900CAS 4807-55-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C(=O)CSC1=S
InChIKey: JKLZCQWVERBDEZ-UHFFFAOYSA-N
분자식: C4H5NOS2
평균 분자량: 147.2 g/mol
단동위원소 질량: 146.98125578

이름 및 식별자

우선 이름: 4-Thiazolidinone, 3-methyl-2-thioxo-
IUPAC: 3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
현지명: 3-메틸로다닌
영어명: 3-Methylrhodanine
분자식: C4H5NOS2
분자량: 147.22

이름 및 동의어

3-MethylrhodanineN-MethylrhodanineMethylrhodanineRhodanine, N-methyl-Rhodanine, 3-methyl-4-Thiazolidinone, 3-methyl-2-thioxo-USAF T-2NSC 65351NSC 14787NSC 42903EINECS 225-367-6BRN 0113456

이름 더 보기

3-메틸로다닌SKL396AKOS B0291013-Methylrodaninn-methyl-rhodanin3-methyl-rhodanin3-Methylrhodanide

RefChem:527006225-367-64807-55-03-methyl-2-sulfanylidene-1,3-thiazolidin-4-one3-methyl-2-thioxothiazolidin-4-one3-Methyl-2-thioxo-thiazolidin-4-oneMFCD000054903-methyl-2-thioxo-1,3-thiazolan-4-one

데이터베이스 식별자

CAS: 4807-55-0
PubChem CID: 72900
DTXSID: DTXSID4063612
ChEMBL: CHEMBL224043
EC Number: 225-367-6
Nikkaji: J54.295D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 77.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 145

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 69 · 69-71 °C(lit.)
끓는 점: 213.4 · 213.4±23.0 °C(Predicted)
밀도: 1.344 · 1.344 (estimate)
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: crystals
산도 계수 (pKa): -1.76 · -1.76±0.20(Predicted)
InChI: 1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKey: JKLZCQWVERBDEZ-UHFFFAOYSA-N
SMILES: CN1C(=O)CSC1=S
EPA: 4 · 4-Thiazolidinone, 3-methyl-2-thioxo- (4807-55-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VI8400000
HS 번호: 2934100090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-28-36/37/39-45
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids