2-메틸프로판티오아미드

2-Methylpropanethioamide

HCID 10909507

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13515-65-6
표준 SMILES: CC(C)C(N)=S
InChIKey: NPCLRBQYESMUPD-UHFFFAOYSA-N
분자식: C4H9NS
평균 분자량: 103.19 g/mol
단동위원소 질량: 103.04557046

이름 및 식별자

우선 이름: 2-Methylpropanethioamide
IUPAC: 2-methylpropanethioamide
현지명: 2-메틸프로판티오아미드
영어명: 2-Methylpropanethioamide
분자식: C4H9NS
분자량: 103.19

이름 및 동의어

2-methylpropanethioamide13515-65-6DTXSID10447922RefChem:263950DTXCID10398743815-748-0ThioisobutyramideMFCD07369538ISOBUTYRTHIOAMIDEIsopropyl Thioamide2-methylpropaneothioamide2-methylpropane-thioamide

이름 더 보기

2-메틸프로판티오아미드Propanethioamide,2-methyl-2-Methylpropanethioamide - [M3101]Thioisobutyramide, 2-Methylpropanethioamide]

SCHEMBL442109SCHEMBL8307401SCHEMBL10331901NPCLRBQYESMUPD-UHFFFAOYSA-NALBB-031241AKOS000149014AB32169CS-W011304

데이터베이스 식별자

CAS: 13515-65-6
PubChem CID: 10909507
DTXSID: DTXSID10447922
EC Number: 815-748-0
Nikkaji: J1.639.499H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 58.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 58

물리화학적 성질

녹는점: 45 · 45-48℃
끓는 점: 203 · 203-205 °C(Press: 30 Torr)
밀도: 0.995 · 0.995±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
용해도: 클로로포름에 용해됨
산도 계수 (pKa): 13.19 · 13.19±0.29(Predicted)
물리적 상태: 고체
색상: 백색 결정체
InChI: InChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey: NPCLRBQYESMUPD-UHFFFAOYSA-N
SMILES: C(N)(=S)C(C)C

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.