2-(Methylsulfonyl)thieno[2,3-d]pyrimidine

HCID 21988356CAS 598298-12-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)c1ncc2ccsc2n1
InChIKey
HKCCJBVIGIVKJZ-UHFFFAOYSA-N
Molecular formula
C7H6N2O2S2
Average molar mass
214.3 g/mol
Monoisotopic mass
213.98706943

Names & identifiers

Preferred name
2-(Methylsulfonyl)thieno[2,3-d]pyrimidine
IUPAC
2-methylsulfonylthieno[2,3-d]pyrimidine
English name
2-(Methylsulfonyl)thieno[2,3-d]pyrimidine
Molecular formula
C7H6N2O2S2
Molecular weight
214.26

Names & synonyms

598298-12-52-(methylsulfonyl)thieno[2,3-d]pyrimidine2-(methanesulfonyl)thieno[2,3-d]pyrimidine2-methylsulfonylthieno[2,3-d]pyrimidineThieno[2,3-d]pyrimidine, 2-(methylsulfonyl)-SCHEMBL3227643DTXSID40621238HKCCJBVIGIVKJZ-UHFFFAOYSA-NAKOS0159022032-methanesulfonyl-thieno[2,3-d]pyrimidineDB-3462772-(Methylsulfonyl)thieno[2,3-d]pyrimidine ISO 9001：2015 REACH

Database identifiers

CAS
598298-12-5
PubChem CID
21988356
DTXSID
DTXSID40621238

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
96.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
433.6 · 433.6±37.0 °C(Predicted)
Density
1.56 · 1.56
pka
-1.35 · -1.35±0.40(Predicted)

Chemistry & industry

Suppliers9 total

北京炎礼生物科技有限公司18600731423 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

Related reactions

10 records
New reaction record

Linked notes

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