4-Isocyanato-7-methoxy-4,5,6,7-tetrahydro-1-benzothiophene

HCID 21490952
NotesReactions

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Basic information

CAS
62369-88-4
Standard SMILES
COC1CCC(N=C=O)c2ccsc21
InChIKey
AKGVQSSBDMJAGF-UHFFFAOYSA-N
Molecular formula
C10H11NO2S
Average molar mass
209.27 g/mol
Monoisotopic mass
209.05104977

Names & identifiers

Preferred name
4-Isocyanato-7-methoxy-4,5,6,7-tetrahydro-1-benzothiophene
IUPAC
4-isocyanato-7-methoxy-4,5,6,7-tetrahydro-1-benzothiophene

Names & synonyms

62369-88-44-Isocyanato-7-methoxy-4,5,6,7-tetrahydro-1-benzothiopheneSCHEMBL11826295DTXSID90614776AKGVQSSBDMJAGF-UHFFFAOYSA-N4,5,6,7-tetrahydro-7-methoxybenzo[b]-thien-4-ylisocyanate4,5,6,7-tetrahydro-7-methoxybenzo[b]thien-4-ylisocyanate

Database identifiers

CAS
62369-88-4
PubChem CID
21490952
DTXSID
DTXSID90614776

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
66.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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