Basic information
- CAS
59147-84-1- Standard SMILES
CC1=C(SCCO)C(=O)c2ccccc2C1=O- InChIKey
MZIOEPIEDDJOPP-UHFFFAOYSA-N- Molecular formula
- C13H12O3S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.05071541
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
- IUPAC
- 2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione
- English name
- 2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthoquinone
- Molecular formula
- C13H12O3S
- Molecular weight
- 248.3
Names & synonyms
59147-84-12-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinoneRefChem:9091532-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione2-(2-hydroxyethylthio)-3-methylnaphthalene-1,4-dioneNSC-6721212-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthoquinone2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dioneMFCD11100314CHEMBL926592-[(2-Hydroxyethyl)thio]-3-methyl-1,4-napthalenedione2-[(2-hydroxyethyl)sulfanyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione
Show more names
100570NSC-672121,Potent Cdc25A inhibitor1,4-Naphthalenedione, 2-[(2-hydroxyethyl)thio]-3-Methyl-
2-[(2-Hydroxyethyl)thio]-3-methylnaphthalene-1,4-dioneNSC672121VitaMine K3 analogue2-Hydroxyethylthio-3-methylnaphthoquinoneCPD 5 (pharmaceutical)VK3-OHHydroxyethylthio Vitamine K3orb1705611
Database identifiers
- CAS
59147-84-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Solid
- color
- Brown to reddish brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthoquinone is used as an approach to anti-cancer therapy, as it is a potent Cdc25A (Cell-division cycle 25) inhibitor.
Suppliers21 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海寰川实业有限公司021-61478794 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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