THIAMYLAL

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 01T23W89FR

Structure
InChI Key XLOMZPUITCYLMJ-UHFFFAOYSA-N
Smile C=CCC1(C(C)CCC)C(=O)N=C(S)NC1=O
InChI
InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O2S
Molecular Weight 254.35
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEBI 9536
ChEMBL CHEMBL440
DrugBank DB01154
DrugCentral 2626
EPA CompTox DTXSID3048441
FDA SRS 01T23W89FR
Human Metabolome Database HMDB0015285
Guide to Pharmacology 7305
KEGG C07846
PharmGKB PA164746997
PubChem 3032285
SureChEMBL SCHEMBL548050
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