2-아미노-2-티아졸린

4,5-Dihydro-2-thiazolamine

HCID 15689CAS 1779-81-3

기본 정보

표준 SMILES: NC1=NCCS1
InChIKey: REGFWZVTTFGQOJ-UHFFFAOYSA-N
분자식: C3H6N2S
평균 분자량: 102.16 g/mol
단동위원소 질량: 102.02516919

개요

4,5-dihydro-1,3-thiazol-2-amine is a 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2. It is a member of 1,3-thiazoles and a primary amino compound.

이름 및 식별자

우선 이름: 4,5-Dihydro-2-thiazolamine
IUPAC: 4,5-dihydro-1,3-thiazol-2-amine
현지명: 2-아미노-2-티아졸린
영어명: 2-Amino-2-thiazoline
분자식: C3H6N2S
분자량: 102.16

이름 및 동의어

1779-81-32-Aminothiazoline2-Thiazolamine, 4,5-dihydro-2-Iminothiazolidine2-Amino-4,5-dihydrothiazoline4,5-DIHYDRO-2-THIAZOLAMINE5JC2YZG56QDTXSID4061961RefChem:465227DTXCID10356582-Amino-2-thiazoline4,5-dihydrothiazol-2-amine

이름 더 보기

2-아미노-2-티아졸린CamfazolinumAURORA KA-679Amino-2-thiazoline2-Amino Thiazolene2-amino-2-thiazolinTIMTEC-BB SBB004361

4,5-Dihydro-1,3-thiazol-2-amine2-Thiazolidinimine2-Amino-4,5-dihydrothiazole2-Thiazoline, 2-amino-USAF PD-57MFCD00005313NSC 3110NSC 24626

데이터베이스 식별자

CAS: 1779-81-3
PubChem CID: 15689
DTXSID: DTXSID4061961
ChEMBL: CHEMBL362148
ChEBI: CHEBI:40889
UNII: 5JC2YZG56Q
EC Number: 217-224-1
Nikkaji: J48.823B

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 63.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 78.9

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 79 · 79-82 °C(lit.)
끓는 점: 221.8 · 221.8±23.0 °C(Predicted)
밀도: 1.139 · 1.139 (estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.04 · 8.04±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 용해됩니다.
BRN: 105367 · 105367
InChI: 1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
InChIKey: REGFWZVTTFGQOJ-UHFFFAOYSA-N
SMILES: S1CCNC1=N
EPA: 2 · 2-Thiazolamine, 4,5-dihydro- (1779-81-3)

화학적 성질

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Thiazolamine, 4,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XJ6540000
독성: mouse,LD50,intraperitoneal,150mg/kg (150mg/kg),National Technical Information Service. Vol. AD691-490,
HS 번호: 29341000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 9
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Thiazolamine, 4,5-dihydro-: ACTIVE

응용 분야

용도2-Amino-2-thiazoline is used as radiation protectants.

상·하류 제품 정보

하류 제품

2-(2-iminothiazolidin-3-yl)-1-phenylethan-1-one monohydrobromide Acetamide,N-(4,5-dihydro-2-thiazolyl)-(2-티아졸린-2-일)우레아 2-(2-iminothiazolidin-3-yl)-1-phenylethan-1-one ML-243

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

추가 설명

정의ChEBI: A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2.

연결된 노트

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