S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate

C11H15NOS — CID 23250907

IUPACS-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate
SMILESCc1ccc(SC(=O)N(C)C)c(C)c1
InChIInChI=1S/C11H15NOS/c1-8-5-6-10(9(2)7-8)14-11(13)12(3)4/h5-7H,1-4H3
InChIKeyMXAZATKFBMLUHB-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.08
Rot. Bonds1

About S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate

S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate (PubChem CID 23250907) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate
PubChem CID23250907
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameS-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate
SMILESCc1ccc(SC(=O)N(C)C)c(C)c1
InChIInChI=1S/C11H15NOS/c1-8-5-6-10(9(2)7-8)14-11(13)12(3)4/h5-7H,1-4H3
InChIKeyMXAZATKFBMLUHB-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl)sulfanylmethanedithioic acid
CID 21422861
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
S-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl] N,N-dimethylcarbamothioate
CID 118409311
2-(2,4-dimethylphenyl)-2-hydroxy-N,N-dimethylacetamide
CID 82126531
ethyl 2-(2,4-dimethylphenyl)sulfanylbutanoate
CID 60730907
S-(5-bromo-2-chlorophenyl) N,N-dimethylcarbamothioate
CID 59492296
3-amino-3-(2,4-dimethylphenyl)sulfanylpropanoic acid
CID 117034735
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
CID 14797593
S-[[7-(4-methylphenyl)-1,2-benzothiazol-6-yl]] N,N-dimethylcarbamothioate
CID 142739290
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966

Frequently Asked Questions

What is the IUPAC name of S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate?
The IUPAC name of S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate (CID 23250907) is S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate.
What is the SMILES notation for S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate?
The canonical SMILES for S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate is Cc1ccc(SC(=O)N(C)C)c(C)c1.
What is the InChIKey of S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate?
The InChIKey is MXAZATKFBMLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-5-6-10(9(2)7-8)14-11(13)12(3)4/h5-7H,1-4H3.
What are the key properties of S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate?
S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate has a molecular weight of 209.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate is sourced from PubChem (CID 23250907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).