methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate

C15H22N4O4S2 — CID 157154650

IUPACmethyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate
SMILESCNC(=S)N(C)C(=O)OC.CNC(=S)N(C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H12N2O2S.C5H10N2O2S/c1-11-9(15)12(2)10(13)14-8-6-4-3-5-7-8;1-6-4(10)7(2)5(8)9-3/h3-7H,1-2H3,(H,11,15);1-3H3,(H,6,10)
InChIKeyALQYEDAUMDZVFG-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.81
Rot. Bonds1

About methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate

methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate (PubChem CID 157154650) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate
PubChem CID157154650
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Namemethyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate
SMILESCNC(=S)N(C)C(=O)OC.CNC(=S)N(C)C(=O)Oc1ccccc1
InChIInChI=1S/C10H12N2O2S.C5H10N2O2S/c1-11-9(15)12(2)10(13)14-8-6-4-3-5-7-8;1-6-4(10)7(2)5(8)9-3/h3-7H,1-2H3,(H,11,15);1-3H3,(H,6,10)
InChIKeyALQYEDAUMDZVFG-UHFFFAOYSA-N
XLogP1.81
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-tert-butyl-N-(methylamino)carbamate
CID 174421673
(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
CID 12982513
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
O-phenyl N-methyl-N-[5-[methyl(phenoxycarbothioyl)amino]-2,4-dioxopentyl]carbamothioate
CID 58459704
carbamothioic S-acid;N-methylmethanamine;O-phenyl carbamothioate
CID 174615477
[4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate
CID 5471256
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate?
The IUPAC name of methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate (CID 157154650) is methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate is CNC(=S)N(C)C(=O)OC.CNC(=S)N(C)C(=O)Oc1ccccc1.
What is the InChIKey of methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate?
The InChIKey is ALQYEDAUMDZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S.C5H10N2O2S/c1-11-9(15)12(2)10(13)14-8-6-4-3-5-7-8;1-6-4(10)7(2)5(8)9-3/h3-7H,1-2H3,(H,11,15);1-3H3,(H,6,10).
What are the key properties of methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate?
methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate has a molecular weight of 386.50 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(methylcarbamothioyl)carbamate;phenyl N-methyl-N-(methylcarbamothioyl)carbamate is sourced from PubChem (CID 157154650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).