Chemical ID: 3993695

Cc1c(sc(c1C(=O)OC)N)C
Chemical ID:
3993695
Name [?]:
methyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(sc(c1C(=O)OC)N)C
InChi [?]:
InChI=1/C8H11NO2S/c1-4-5(2)12-7(9)6(4)8(10)11-3/h9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,2,3,6,5,7,11,8,9,4/rA:12nCCCSCCCOOCNC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11NO2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.13093
Area:346.37
Solvation:-1.52831
Coulombic:-36.4646
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.244
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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