(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamodithioic acid

HCID 15566013CAS 55317-80-1

기본 정보

표준 SMILES
Cc1[nH]cnc1CSCCNC(=S)S
InChIKey
DJFNUVQFNPDLFL-UHFFFAOYSA-N
분자식
C8H13N3S3
평균 분자량
247.4 g/mol
단동위원소 질량
247.02716042

이름 및 식별자

우선 이름
(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamodithioic acid
IUPAC
2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylcarbamodithioic acid

이름 및 동의어

55317-80-1(2-(((5-Methyl-1H-imidazol-4-yl)methyl)thio)ethyl)carbamodithioic acidSCHEMBL10854524SCHEMBL11002650DTXSID20574379DJFNUVQFNPDLFL-UHFFFAOYSA-NN-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]dithiocarbamic acid(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamodithioic acidN-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]dithiocarbamic acidN-[2-((4-methyl-5-imidazolyl)methylthio)ethyl] dithiocarbamic acidN-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]dithiocarbamic acidN-[2-((5-methyl-4-imidazolyl)-methylthio)ethyl]dithiocarbamic acid
이름 더 보기
N-[2-((5-methyl-4imidazolyl)methylthio)ethyl]dithiocarbamic acid

데이터베이스 식별자

CAS
55317-80-1
PubChem CID
15566013
DTXSID
DTXSID20574379

물성

구조 계산 물성

XLogP
1.3
극성 표면적
99.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
14

관련 반응

13건

연결된 노트

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