S-(4-methylphenyl) N,N-dimethylcarbamothioate

C10H13NOS — CID 13419715

IUPACS-(4-methylphenyl) N,N-dimethylcarbamothioate
SMILESCc1ccc(SC(=O)N(C)C)cc1
InChIInChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyGUJNMKIJMDLEPG-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.77
Rot. Bonds1

About S-(4-methylphenyl) N,N-dimethylcarbamothioate

S-(4-methylphenyl) N,N-dimethylcarbamothioate (PubChem CID 13419715) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is S-(4-methylphenyl) N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-(4-methylphenyl) N,N-dimethylcarbamothioate
PubChem CID13419715
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameS-(4-methylphenyl) N,N-dimethylcarbamothioate
SMILESCc1ccc(SC(=O)N(C)C)cc1
InChIInChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyGUJNMKIJMDLEPG-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.77
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

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CID 82629
N,N-dimethyl-3-[(4-methylphenyl)thio]propanamide
CID 893856
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CID 11789078
S-(4-fluorophenyl) N,N-dimethylcarbamothioate
CID 21161805
Carbamic acid, methylthio-, S-(p-tolyl) ester
CID 27669
Allylamine, N,N-dimethyl-3-(p-tolylthio)-
CID 6434753
1-{[4-(chloromethyl)phenyl]sulfanyl}-N,N-dimethylformamide
CID 23109838
Dimethylthiocarbamic acid S-[4-(trifluoromethyl)phenyl] ester
CID 19794848
4-Dimethylcarbamoylthio-benzonitrile
CID 551601
S-Phenyl dimethylthiocarbamate
CID 551887
s-(3-Methylphenyl) methylcarbamothioate
CID 235365
S-Benzyl dimethylcarbamothioate
CID 12874549

Frequently Asked Questions

What is the IUPAC name of S-(4-methylphenyl) N,N-dimethylcarbamothioate?
The IUPAC name of S-(4-methylphenyl) N,N-dimethylcarbamothioate (CID 13419715) is S-(4-methylphenyl) N,N-dimethylcarbamothioate.
What is the SMILES notation for S-(4-methylphenyl) N,N-dimethylcarbamothioate?
The canonical SMILES for S-(4-methylphenyl) N,N-dimethylcarbamothioate is Cc1ccc(SC(=O)N(C)C)cc1.
What is the InChIKey of S-(4-methylphenyl) N,N-dimethylcarbamothioate?
The InChIKey is GUJNMKIJMDLEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3.
What are the key properties of S-(4-methylphenyl) N,N-dimethylcarbamothioate?
S-(4-methylphenyl) N,N-dimethylcarbamothioate has a molecular weight of 195.29 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methylphenyl) N,N-dimethylcarbamothioate is sourced from PubChem (CID 13419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).