2-Oxo-1,3-thiazolidine-4-carboxylic acid

HCID 65272CAS 19750-45-9

기본 정보

표준 SMILES: O=C1NC(C(=O)O)CS1
InChIKey: BMLMGCPTLHPWPY-UHFFFAOYSA-N
분자식: C4H5NO3S
평균 분자량: 147.15 g/mol
단동위원소 질량: 146.99901402

이름 및 식별자

우선 이름: 2-Oxo-1,3-thiazolidine-4-carboxylic acid
IUPAC: 2-oxo-1,3-thiazolidine-4-carboxylic acid
영어명: 4-Thiazolidinecarboxylicacid,2-oxo-(7CI,8CI,9CI)
분자식: C4H5NO3S
분자량: 147.15

이름 및 동의어

19750-45-92-oxo-1,3-thiazolidine-4-carboxylic acidDTXSID00864902RefChem:477645DTXCID50813369830-500-1C4H5NO3S2-Oxo-4-thiazolidinecarboxylic acidOTC;Procysteine;OTZ;L-Thiazolidin-2-one-4-carboxylic acidOprea1_698154SCHEMBL83023BMLMGCPTLHPWPY-UHFFFAOYSA-N

이름 더 보기

2-OXO-4-THIAZOLIDINECARBOXYLATE4-Thiazolidinecarboxylic acid, 2-oxo-4-Thiazolidinecarboxylicacid,2-oxo-(7CI,8CI,9CI)

2-Oxothiazolidine-4-carboxylicacidHMS3393K092-oxothiazolidin-4-carboxylic acidUAA75045EBC-13700NSC342431AKOS024015355AT20226

데이터베이스 식별자

CAS: 19750-45-9、77273-78-0
PubChem CID: 65272
DTXSID: DTXSID00864902
EC Number: 830-500-1
Nikkaji: J397.552E

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 91.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 158

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, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.