2-Hydroxy-4-(methylsulfanyl)butanamide

HCID 10313220

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 49540-21-8
표준 SMILES: CSCCC(O)C(N)=O
InChIKey: INTUDBWOILOBCE-UHFFFAOYSA-N
분자식: C5H11NO2S
평균 분자량: 149.21 g/mol
단동위원소 질량: 149.05104977

이름 및 식별자

우선 이름: 2-Hydroxy-4-(methylsulfanyl)butanamide
IUPAC: 2-hydroxy-4-methylsulfanylbutanamide
영어명: 2-Hydroxy-4-methylthiobutanamide
분자식: C5H11NO2S
분자량: 149.21

이름 및 동의어

49540-21-82-hydroxy-4-(methylsulfanyl)butanamideDTXSID50437963RefChem:261699DTXCID70388786845-177-22-hydroxy-4-(methylthio)butanamide2-hydroxy-4-methylsulfanylbutanamide2-hydroxy-4-(methylthio) butanamideMFCD16694143Butanamide, 2-hydroxy-4-(methylthio)-2-hydroxypentanethioamide

이름 더 보기

2-Hydroxy-4-methylthiobutanamide

Phytonadione Impurity 29SCHEMBL687227Adenosyl Methionine Impurity 122-hydroxy-4-methylthiobutylamideINTUDBWOILOBCE-UHFFFAOYSA-NZBA540212-hydroxy-4-(methylthio)-butaneamideAKOS011508290

데이터베이스 식별자

CAS: 49540-21-8
PubChem CID: 10313220
DTXSID: DTXSID50437963
EC Number: 845-177-2
Nikkaji: J1.357.858C

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 88.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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 2 reports by companies from 1 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.