4-Amino-6-chloro-2-methylthiopyrimidine

HCID 70496

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1005-38-5
표준 SMILES: CSc1nc(N)cc(Cl)n1
InChIKey: ISUXMAHVLFRZQU-UHFFFAOYSA-N
분자식: C5H6ClN3S
평균 분자량: 175.64 g/mol
단동위원소 질량: 174.9970961

이름 및 식별자

우선 이름: 4-Amino-6-chloro-2-methylthiopyrimidine
IUPAC: 6-chloro-2-methylsulfanylpyrimidin-4-amine
영어명: 4-Amino-6-chloro-2-(methylthio)pyrimidine
분자식: C5H6ClN3S
분자량: 175.64

이름 및 동의어

4-Pyrimidinamine, 6-chloro-2-(methylthio)-4-Amino-6-chloro-2-methylthiopyrimidine6-Chloro-2-methylthiopyrimidin-4-ylamineP8SND49KYKEINECS 213-734-3NSC-19859DTXSID60143346U-8342NSC 198594-amino-6-chloro-2-methylsulfanylpyrimidine6-CHLORO-2-(METHYLTHIO)-4-PYRIMIDINAMINERefChem:517991

이름 더 보기

U 8342TIMTEC-BB SBB0037861-[butoxy(phenyl)methyl]piperidine6-Chloro-2-methylthio-4-pyrimidinamine2-(Methylthio)-6-chloropyrimidine-4-amine6-AMINO-4-CHLORO-2-METHYLMERCAPTOPYRIMIDINE

DTXCID7065837213-734-31005-38-54-Amino-6-chloro-2-(methylthio)pyrimidine4-Amino-6-chloro-2-methylmercaptopyrimidine6-chloro-2-(methylsulfanyl)pyrimidin-4-amine6-Chloro-2-(methylthio)pyrimidin-4-amine6-chloro-2-methylsulfanylpyrimidin-4-amine

데이터베이스 식별자

CAS: 1005-38-5
PubChem CID: 70496
DTXSID: DTXSID60143346
UNII: P8SND49KYK
EC Number: 213-734-3
Nikkaji: J124.123K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 77.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 113

물리화학적 성질

녹는점: 130 · 130-132 °C (lit.)
끓는 점: 338.7 · 338.7±22.0 °C(Predicted)
밀도: 1.395 · 1.395 (estimate)
굴절률: 1.61 · 1.6100 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 1.11 · 1.11±0.10(Predicted)
색상: 황백색에서 베이지색 또는 노란색까지
InChI: 1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey: ISUXMAHVLFRZQU-UHFFFAOYSA-N
SMILES: CSc1nc(N)cc(Cl)n1
NIST: 4 · Pyrimidine, 4-amino-6-chloro-2-(methylthio)-(1005-38-5)

화학적 성질

off-white to beige or yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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, 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 6 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.