Basic information
- CAS
85539-83-9- Standard SMILES
N#C[Se]Cc1ccc(C[Se]C#N)cc1- InChIKey
QFTBWTJGZHUOAW-UHFFFAOYSA-N- Molecular formula
- C10H8N2Se2
- Average molar mass
- 314.1 g/mol
- Monoisotopic mass
- 315.90179086
Overview
structure given in first source; inhibits DMBA-induced carcinogenesis by inhibiting DMBA-DNA adduct formation
Names & identifiers
- Preferred name
- Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate
- IUPAC
- [4-(selenocyanatomethyl)phenyl]methyl selenocyanate
- English name
- P-XSC
- Molecular formula
- C10H8N2Se2
- Molecular weight
- 314.1
Names & synonyms
85539-83-91,4-Phenylenebis(methylene)selenocyanatep-XSCPhenylenebis(methylene)selenocyanate1,4-phenylene bis(methylene)selenocyanateQ22S9Y993ESelenocyanic acid, 1,4-phenylenebis(methylene) esterSe,Se'-[1,4-Phenylenebis(methylene)] diselenocyanate1,4-XSCSe,Se'-(1,4-Phenylenebis(methylene)) diselenocyanatepara-XylylselenocyanateRefChem:931539
Show more names
selenocyanicacid,1,4-phenylenebis(methylene)esterSe,Se′-[1,4-Phenylenebis(methylene)]?diselenocyanateSelenocyanic acid, Se,Se'-[1,4-phenylenebis(methylene)] ester
p-Xyleneselenocyanate[4-(selenocyanatomethyl)phenyl]methyl selenocyanate1,4-bis(selenocyanatomethyl)benzeneCHEMBL113478p-phenylenebis(methylene) selenocyanateCCRIS 6548DTXSID701006101BRN 3283843
Database identifiers
- CAS
85539-83-9- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 154 °C · 154 °C
- Boiling point
- 430.2 · 430.2±55.0 °C(Predicted)
- FDA UNII
- 22 S9Y993E · Q22S9Y993E
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
Applications
Usesp-Xyleneselenocyanate is a synthetic organoselenium chemopreventive agent.
Suppliers11 total
Hubei Chuchang Biotech Co., Ltd.+86-18727130788 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
石镓生物化学（湖北省）有限责任公司18162762717 18162692717 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Hebei Ningnan Trade Co. LTD+86-18034019111 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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