benzyl N,N'-dimethylcarbamimidothioate

C10H14N2S — CID 12694125

IUPACbenzyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1ccccc1
InChIInChI=1S/C10H14N2S/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12)
InChIKeyZVVRQHZUOTXOEY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.12
Rot. Bonds2

About benzyl N,N'-dimethylcarbamimidothioate

benzyl N,N'-dimethylcarbamimidothioate (PubChem CID 12694125) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is benzyl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Namebenzyl N,N'-dimethylcarbamimidothioate
PubChem CID12694125
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Namebenzyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1ccccc1
InChIInChI=1S/C10H14N2S/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12)
InChIKeyZVVRQHZUOTXOEY-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N,N'-dimethylcarbamimidothioate?
The IUPAC name of benzyl N,N'-dimethylcarbamimidothioate (CID 12694125) is benzyl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for benzyl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for benzyl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SCc1ccccc1.
What is the InChIKey of benzyl N,N'-dimethylcarbamimidothioate?
The InChIKey is ZVVRQHZUOTXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12).
What are the key properties of benzyl N,N'-dimethylcarbamimidothioate?
benzyl N,N'-dimethylcarbamimidothioate has a molecular weight of 194.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 12694125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).