Chemical ID: 6473739

COC(=O)C1Cc2ccsc2C(=O)C1
Chemical ID:
6473739
Name [?]:
methyl 7-oxo-5,6-dihydro-4H-benzothiophene-5-carboxylate
SMILES [?]:
COC(=O)C1Cc2ccsc2C(=O)C1
InChi [?]:
InChI=1/C10H10O3S/c1-13-10(12)7-4-6-2-3-14-9(6)8(11)5-7/h2-3,7H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,14,7,5,12,11,3,13,4,2,10/rA:14cCOCOCCCCCSCCOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d7s10;s11;d12;s5s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.14571
Area:367.77
Solvation:-3.04855
Coulombic:-24.999
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.251
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.21
LogP (Chemaxon):0.72

Name Annotations

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Descriptor Annotations

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