1,3-dimethyl-1-(1-methylsulfanylethenyl)urea

C6H12N2OS — CID 155064860

IUPAC1,3-dimethyl-1-(1-methylsulfanylethenyl)urea
SMILESC=C(SC)N(C)C(=O)NC
InChIInChI=1S/C6H12N2OS/c1-5(10-4)8(3)6(9)7-2/h1H2,2-4H3,(H,7,9)
InChIKeyNBYWZPQQSPDJNG-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.09
Rot. Bonds2

About 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea

1,3-dimethyl-1-(1-methylsulfanylethenyl)urea (PubChem CID 155064860) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(1-methylsulfanylethenyl)urea
PubChem CID155064860
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1,3-dimethyl-1-(1-methylsulfanylethenyl)urea
SMILESC=C(SC)N(C)C(=O)NC
InChIInChI=1S/C6H12N2OS/c1-5(10-4)8(3)6(9)7-2/h1H2,2-4H3,(H,7,9)
InChIKeyNBYWZPQQSPDJNG-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea?
The IUPAC name of 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea (CID 155064860) is 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea is C=C(SC)N(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea?
The InChIKey is NBYWZPQQSPDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-5(10-4)8(3)6(9)7-2/h1H2,2-4H3,(H,7,9).
What are the key properties of 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea?
1,3-dimethyl-1-(1-methylsulfanylethenyl)urea has a molecular weight of 160.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(1-methylsulfanylethenyl)urea is sourced from PubChem (CID 155064860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).