3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
기본 정보
- CAS
78441-82-4- 표준 SMILES
CN(C)Cc1ccc(CSCCNC2=NS(=O)N=C2N)o1- InChIKey
IZTBLLPMEZOKSV-UHFFFAOYSA-N- 분자식
- C12H19N5O2S2
- 평균 분자량
- 329.4 g/mol
- 단동위원소 질량
- 329.09801721
이름 및 식별자
- 우선 이름
- 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
- IUPAC
- 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
- 영어명
- N-[2-[[[5-[(Dimethylamino)methyl]furan-2-yl]methyl]thio]ethyl]-1,2,5-thiadiazole-3,4-diamine1-oxide
- 분자식
- C12H19N5O2S2
- 분자량
- 329.44
이름 및 동의어
78441-82-4BMY-252713-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-oxo-1,2,5-thiadiazole-3,4-diamineCHEMBL8982N-[2-[[[5-[(Dimethylamino)methyl]furan-2-yl]methyl]thio]ethyl]-1,2,5-thiadiazole-3,4-diamine1-oxideorb1710232DTXSID00419592IZTBLLPMEZOKSV-UHFFFAOYSA-NDDA44182BDBM50404822NSC365352AKOS040732627
이름 더 보기
BMY25271,BMY 252711,2,5-Thiadiazole-3,4-diamine, N3-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-, 1-oxide
DA-61780HY-100191CS-0018185T105753-Amino-4-({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-1H-1lambda~4~,2,5-thiadiazol-1-one3-amino-4-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide4-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylimino]-1-oxido-1,2,5-thiadiazol-1-ium-3-amineamino-4-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide
데이터베이스 식별자
- CAS
78441-82-4- PubChem CID
- 5384819
- DTXSID
DTXSID00419592- ChEMBL
CHEMBL8982
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 441
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
화학 및 산업
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