5Q5

1-(2-methylphenyl)thiourea

Created:2015-11-09
Last modified:  2016-04-27

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of 5Q5

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Chemical Component Summary

Name1-(2-methylphenyl)thiourea
Systematic Name (OpenEye OEToolkits)1-(2-methylphenyl)thiourea
FormulaC8 H10 N2 S
Molecular Weight166.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccccc1NC(N)=S
SMILESOpenEye OEToolkits2.0.4Cc1ccccc1NC(=S)N
Canonical SMILESCACTVS3.385 Cc1ccccc1NC(N)=S
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccccc1NC(=S)N
InChIInChI1.03 InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyInChI1.03 ACLZYRNSDLQOIA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 11971, 2787703
ChEMBL CHEMBL1088658
CCDC/CSD MOFBAL
COD 2219316