sulfanylmethylurea

C2H6N2OS — CID 87262805

IUPACsulfanylmethylurea
SMILESNC(=O)NCS
InChIInChI=1S/C2H6N2OS/c3-2(5)4-1-6/h6H,1H2,(H3,3,4,5)
InChIKeyZOMWAJBTHZXANJ-UHFFFAOYSA-N
MW106.15 g/mol
LogP-0.46
Rot. Bonds1

About sulfanylmethylurea

sulfanylmethylurea (PubChem CID 87262805) has the molecular formula C2H6N2OS and a molecular weight of 106.15 g/mol. Its IUPAC name is sulfanylmethylurea.

Molecular Properties

Compound Namesulfanylmethylurea
PubChem CID87262805
Molecular FormulaC2H6N2OS
Molecular Weight106.15 g/mol
Exact Mass106.02
IUPAC Namesulfanylmethylurea
SMILESNC(=O)NCS
InChIInChI=1S/C2H6N2OS/c3-2(5)4-1-6/h6H,1H2,(H3,3,4,5)
InChIKeyZOMWAJBTHZXANJ-UHFFFAOYSA-N
XLogP-0.46
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanylmethylurea?
The IUPAC name of sulfanylmethylurea (CID 87262805) is sulfanylmethylurea.
What is the SMILES notation for sulfanylmethylurea?
The canonical SMILES for sulfanylmethylurea is NC(=O)NCS.
What is the InChIKey of sulfanylmethylurea?
The InChIKey is ZOMWAJBTHZXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2OS/c3-2(5)4-1-6/h6H,1H2,(H3,3,4,5).
What are the key properties of sulfanylmethylurea?
sulfanylmethylurea has a molecular weight of 106.15 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylmethylurea is sourced from PubChem (CID 87262805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).