1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea

C5H11N3OS2 — CID 130710412

IUPAC1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea
SMILESCNC(=S)NNC(=O)CSC
InChIInChI=1S/C5H11N3OS2/c1-6-5(10)8-7-4(9)3-11-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10)
InChIKeyBWRUDLCZUCNOHJ-UHFFFAOYSA-N
MW193.30 g/mol
LogP-0.53
Rot. Bonds2

About 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea

1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea (PubChem CID 130710412) has the molecular formula C5H11N3OS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea
PubChem CID130710412
Molecular FormulaC5H11N3OS2
Molecular Weight193.30 g/mol
Exact Mass193.03
IUPAC Name1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea
SMILESCNC(=S)NNC(=O)CSC
InChIInChI=1S/C5H11N3OS2/c1-6-5(10)8-7-4(9)3-11-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10)
InChIKeyBWRUDLCZUCNOHJ-UHFFFAOYSA-N
XLogP-0.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea?
The IUPAC name of 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea (CID 130710412) is 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea?
The canonical SMILES for 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea is CNC(=S)NNC(=O)CSC.
What is the InChIKey of 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea?
The InChIKey is BWRUDLCZUCNOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS2/c1-6-5(10)8-7-4(9)3-11-2/h3H2,1-2H3,(H,7,9)(H2,6,8,10).
What are the key properties of 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea?
1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea has a molecular weight of 193.30 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylsulfanylacetyl)amino]thiourea is sourced from PubChem (CID 130710412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).