aminosulfanylmethylurea

C2H7N3OS — CID 87475425

IUPACaminosulfanylmethylurea
SMILESNSCNC(N)=O
InChIInChI=1S/C2H7N3OS/c3-2(6)5-1-7-4/h1,4H2,(H3,3,5,6)
InChIKeyQTEINTHFYAQWSC-UHFFFAOYSA-N
MW121.17 g/mol
LogP-0.78
Rot. Bonds2

About aminosulfanylmethylurea

aminosulfanylmethylurea (PubChem CID 87475425) has the molecular formula C2H7N3OS and a molecular weight of 121.17 g/mol. Its IUPAC name is aminosulfanylmethylurea.

Molecular Properties

Compound Nameaminosulfanylmethylurea
PubChem CID87475425
Molecular FormulaC2H7N3OS
Molecular Weight121.17 g/mol
Exact Mass121.03
IUPAC Nameaminosulfanylmethylurea
SMILESNSCNC(N)=O
InChIInChI=1S/C2H7N3OS/c3-2(6)5-1-7-4/h1,4H2,(H3,3,5,6)
InChIKeyQTEINTHFYAQWSC-UHFFFAOYSA-N
XLogP-0.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminosulfanylmethylurea?
The IUPAC name of aminosulfanylmethylurea (CID 87475425) is aminosulfanylmethylurea.
What is the SMILES notation for aminosulfanylmethylurea?
The canonical SMILES for aminosulfanylmethylurea is NSCNC(N)=O.
What is the InChIKey of aminosulfanylmethylurea?
The InChIKey is QTEINTHFYAQWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3OS/c3-2(6)5-1-7-4/h1,4H2,(H3,3,5,6).
What are the key properties of aminosulfanylmethylurea?
aminosulfanylmethylurea has a molecular weight of 121.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfanylmethylurea is sourced from PubChem (CID 87475425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).