disulfanylmethylurea

C2H6N2OS2 — CID 54338573

IUPACdisulfanylmethylurea
SMILESNC(=O)NCSS
InChIInChI=1S/C2H6N2OS2/c3-2(5)4-1-7-6/h6H,1H2,(H3,3,4,5)
InChIKeyTXHJBCQUTVPSGM-UHFFFAOYSA-N
MW138.22 g/mol
LogP0.19
Rot. Bonds2

About disulfanylmethylurea

disulfanylmethylurea (PubChem CID 54338573) has the molecular formula C2H6N2OS2 and a molecular weight of 138.22 g/mol. Its IUPAC name is disulfanylmethylurea.

Molecular Properties

Compound Namedisulfanylmethylurea
PubChem CID54338573
Molecular FormulaC2H6N2OS2
Molecular Weight138.22 g/mol
Exact Mass137.99
IUPAC Namedisulfanylmethylurea
SMILESNC(=O)NCSS
InChIInChI=1S/C2H6N2OS2/c3-2(5)4-1-7-6/h6H,1H2,(H3,3,4,5)
InChIKeyTXHJBCQUTVPSGM-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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 disulfanylmethylurea?
The IUPAC name of disulfanylmethylurea (CID 54338573) is disulfanylmethylurea.
What is the SMILES notation for disulfanylmethylurea?
The canonical SMILES for disulfanylmethylurea is NC(=O)NCSS.
What is the InChIKey of disulfanylmethylurea?
The InChIKey is TXHJBCQUTVPSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2OS2/c3-2(5)4-1-7-6/h6H,1H2,(H3,3,4,5).
What are the key properties of disulfanylmethylurea?
disulfanylmethylurea has a molecular weight of 138.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylmethylurea is sourced from PubChem (CID 54338573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).