2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide

C11H15NOS — CID 137192921

IUPAC2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide
SMILESCc1cc(C)c(O)c(C(=S)N(C)C)c1
InChIInChI=1S/C11H15NOS/c1-7-5-8(2)10(13)9(6-7)11(14)12(3)4/h5-6,13H,1-4H3
InChIKeyKEBIDBJAJFFYLG-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.25
Rot. Bonds1

About 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide

2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide (PubChem CID 137192921) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide.

Molecular Properties

Compound Name2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide
PubChem CID137192921
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide
SMILESCc1cc(C)c(O)c(C(=S)N(C)C)c1
InChIInChI=1S/C11H15NOS/c1-7-5-8(2)10(13)9(6-7)11(14)12(3)4/h5-6,13H,1-4H3
InChIKeyKEBIDBJAJFFYLG-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide?
The IUPAC name of 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide (CID 137192921) is 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide.
What is the SMILES notation for 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide?
The canonical SMILES for 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide is Cc1cc(C)c(O)c(C(=S)N(C)C)c1.
What is the InChIKey of 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide?
The InChIKey is KEBIDBJAJFFYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-5-8(2)10(13)9(6-7)11(14)12(3)4/h5-6,13H,1-4H3.
What are the key properties of 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide?
2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide has a molecular weight of 209.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,3,5-tetramethylbenzenecarbothioamide is sourced from PubChem (CID 137192921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).