NY 4138
Basic information
- CAS
79685-11-3- Standard SMILES
O=S(Cc1cccs1)c1ncc(Br)cn1- InChIKey
YFCSMQKDQMKSCX-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2OS2
- Average molar mass
- 303.2 g/mol
- Monoisotopic mass
- 301.91832
Overview
induces mitotic arrest and interphase inhibition in human NHIK 3025 cells cultured in vitro; structure given in first source
Names & identifiers
- Preferred name
- NY 4138
- IUPAC
- 5-bromo-2-(thiophen-2-ylmethylsulfinyl)pyrimidine
Names & synonyms
NY 413879685-11-3NY-4138RefChem:1669895-Bromo-2-((2-thienylmethyl)sulfinyl)pyrimidinePyrimidine, 5-bromo-2-((2-thienylmethyl)sulfinyl)-SCHEMBL10976962YFCSMQKDQMKSCX-UHFFFAOYSA-NDTXSID5010006642-(2thenyl)sulfinyl-5-bromopyrimidine2-(2-Thienylmethyl)sulfinyl-5-bromopyrimidine5-Bromo-2-[(thiophen-2-yl)methanesulfinyl]pyrimidine
Show more names
5-bromo-2-(2-thienylmethyl)sulfinylpyrimidine sulfoxide
Database identifiers
- CAS
79685-11-3- PubChem CID
- 133258
- DTXSID
DTXSID501000664
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
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Related reactions
2 records
Compound notes
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