2-아미노-6-(메틸설포닐)벤조티아졸

2-Benzothiazolamine, 6-(methylsulfonyl)-

HCID 87152CAS 17557-67-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc2nc(N)sc2c1
InChIKey: ZYHNHJAMVNINSY-UHFFFAOYSA-N
분자식: C8H8N2O2S2
평균 분자량: 228.3 g/mol
단동위원소 질량: 228.0027195

이름 및 식별자

우선 이름: 2-Benzothiazolamine, 6-(methylsulfonyl)-
IUPAC: 6-methylsulfonyl-1,3-benzothiazol-2-amine
현지명: 2-아미노-6-(메틸설포닐)벤조티아졸
영어명: Pramipexole Impurity 23
분자식: C8H8N2O2S2
분자량: 228.29

이름 및 동의어

17557-67-42-Amino-6-(methylsulfonyl)benzothiazole2-Benzothiazolamine, 6-(methylsulfonyl)-6-(Methylsulfonyl)-2-benzothiazolamine2-Aminobenzothiazole-6-methyl sulfoneEINECS 241-537-22-Aminobenzothiazolyl-6 methyl sulfone6-Methylsulphonylbenzothiazol-2-ylamineDTXSID40517962-Amino-6-[methylsulfonyl]benzothiazoleRefChem:465556DTXCID7030351

이름 더 보기

2-아미노-6-(메틸설포닐)벤조티아졸SKA 16AURORA 8319AKOS BBS-00006406TbPTR1 inhibitor 2LABOTEST-BB LT00080641Pramipexole Impurity 33TbPTR1 inhibitor 2, 10 mM in DMSO2-Amino-6-Methisulfonylbenzothiazole6-(methylsulfonyl)-2-benzothiazolamin

241-537-26-(methylsulfonyl)-1,3-benzothiazol-2-amine6-methylsulfonyl-1,3-benzothiazol-2-amine2-Amino-6-methylsulfonylbenzothiazole6-methanesulfonyl-1,3-benzothiazol-2-amineMFCD001791336-(methylsulfonyl)benzo[d]thiazol-2-amineCHEMBL432942

데이터베이스 식별자

CAS: 17557-67-4
PubChem CID: 87152
DTXSID: DTXSID4051796
ChEMBL: CHEMBL432942
UNII: JVA34UM59P
EC Number: 241-537-2
Nikkaji: J37.328A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 110 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 312

물리화학적 성질

녹는점: 223 °C · 223 °C (dec.)(lit.)
끓는 점: 500.8 · 500.8±56.0 °C(Predicted)
밀도: 1.518 · 1.518±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 1.99 · 1.99±0.10(Predicted)
물리적 상태: Solid
색상: White to off-white
EPA: 2 · 2-Benzothiazolamine, 6-(methylsulfonyl)- (17557-67-4)

화학적 성질

white to light yellow powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 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. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DL0863408
ridadr: UN 2811 6.1/PG 3
독성: mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0534339,
HS 번호: 2934208090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
포장분류: Ⅲ
위험 등급: 6.1