Basic information
- CAS
38201-61-5- Standard SMILES
Cn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3- InChIKey
PFSZMGIUBHSQKS-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.03910536
Names & identifiers
- Preferred name
- 2,3,5,6,7,8-Hexahydro-3-methyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
- IUPAC
- 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- (1)benzothieno(2,3-d)pyrimidin-4(1h)-one,2,3,5,6,7,8-hexahydro-3-methyl-2-thio
- Molecular formula
- C11H12N2OS2
- Molecular weight
- 252.35578
Names & synonyms
38201-61-5(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-methyl-2-thioxo-DTXSID80191586RefChem:1059223DTXCID201140772,3,5,6,7,8-Hexahydro-3-methyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-4(1H)-one3-Methyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one2-Mercapto-3-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one3-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one(1)benzothieno(2,3-d)pyrimidin-4(1h)-one,2,3,5,6,7,8-hexahydro-3-methyl-2-thio4-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Show more names
3-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1h)4-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.02,?]trideca-1(9),2(7),5-trien-3-one
3-methyl-2-sulfanyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-on eNSC6222873-Methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-oneOprea1_482199Oprea1_601285NBA20161MFCD00128348SBB040432
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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