4-(Carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl acetate
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Basic information
- CAS
62369-80-6- Standard SMILES
CC(=O)OC1CCC(NC(N)=O)c2ccsc21- InChIKey
XOOMDGQCCIBCAZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.07251331
Names & identifiers
- Preferred name
- 4-(Carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl acetate
- IUPAC
- [4-(carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl] acetate
Names & synonyms
62369-80-6SCHEMBL11823155DTXSID30614775XOOMDGQCCIBCAZ-UHFFFAOYSA-N4-(Carbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl acetate4,5,6,7-Tetrahydro-7-acetoxybenzo[b]thien-4-ylurea
Database identifiers
- CAS
62369-80-6- PubChem CID
- 21490950
- DTXSID
DTXSID30614775
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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