1,3-dicyclopropyl-1-sulfanylurea

C7H12N2OS — CID 88797828

IUPAC1,3-dicyclopropyl-1-sulfanylurea
SMILESO=C(NC1CC1)N(S)C1CC1
InChIInChI=1S/C7H12N2OS/c10-7(8-5-1-2-5)9(11)6-3-4-6/h5-6,11H,1-4H2,(H,8,10)
InChIKeyINWMLOIXTSREHB-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.17
Rot. Bonds2

About 1,3-dicyclopropyl-1-sulfanylurea

1,3-dicyclopropyl-1-sulfanylurea (PubChem CID 88797828) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1,3-dicyclopropyl-1-sulfanylurea.

Molecular Properties

Compound Name1,3-dicyclopropyl-1-sulfanylurea
PubChem CID88797828
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1,3-dicyclopropyl-1-sulfanylurea
SMILESO=C(NC1CC1)N(S)C1CC1
InChIInChI=1S/C7H12N2OS/c10-7(8-5-1-2-5)9(11)6-3-4-6/h5-6,11H,1-4H2,(H,8,10)
InChIKeyINWMLOIXTSREHB-UHFFFAOYSA-N
XLogP1.17
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-1-sulfanylurea?
The IUPAC name of 1,3-dicyclopropyl-1-sulfanylurea (CID 88797828) is 1,3-dicyclopropyl-1-sulfanylurea.
What is the SMILES notation for 1,3-dicyclopropyl-1-sulfanylurea?
The canonical SMILES for 1,3-dicyclopropyl-1-sulfanylurea is O=C(NC1CC1)N(S)C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-1-sulfanylurea?
The InChIKey is INWMLOIXTSREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c10-7(8-5-1-2-5)9(11)6-3-4-6/h5-6,11H,1-4H2,(H,8,10).
What are the key properties of 1,3-dicyclopropyl-1-sulfanylurea?
1,3-dicyclopropyl-1-sulfanylurea has a molecular weight of 172.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-1-sulfanylurea is sourced from PubChem (CID 88797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).