(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate

C11H15NS2 — CID 164668285

IUPAC(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccc(SC(=S)N(C)C)c(C)c1
InChIInChI=1S/C11H15NS2/c1-8-5-6-10(9(2)7-8)14-11(13)12(3)4/h5-7H,1-4H3
InChIKeyOVQPKMPHVMWRHL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds1

About (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate

(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate (PubChem CID 164668285) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate
PubChem CID164668285
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccc(SC(=S)N(C)C)c(C)c1
InChIInChI=1S/C11H15NS2/c1-8-5-6-10(9(2)7-8)14-11(13)12(3)4/h5-7H,1-4H3
InChIKeyOVQPKMPHVMWRHL-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethylthioanisole
CID 305841
[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 58219874
(4-methylsulfanylphenyl)methyl N,N-diethylcarbamodithioate
CID 132014423
[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 155936768
Carbamodithioic acid, dimethyl-, 4-methylphenyl ester
CID 11805987
(4-methylphenyl) N,N-diethylcarbamodithioate
CID 13816617
1-[(Isocyanomethyl)sulfanyl]-4-methylbenzene
CID 20451295
(4-cyanophenyl) N,N-dimethylcarbamodithioate
CID 58495502
1-Tert-butylsulfanyl-2,4-dimethyl-benzene
CID 118587974
S-[2,4-bis(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 59713047
S-[2,4-bis(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate;ethane
CID 143095248
Thiocyanic acid, 2,4,6-trimethylphenyl ester
CID 4382686

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate (CID 164668285) is (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate is Cc1ccc(SC(=S)N(C)C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate?
The InChIKey is OVQPKMPHVMWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/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 (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate?
(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate has a molecular weight of 225.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 164668285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).