1-carbamimidoyl-1-phenylsulfanylurea

C8H10N4OS — CID 87474581

IUPAC1-carbamimidoyl-1-phenylsulfanylurea
SMILES[H]/N=C(\N)N(Sc1ccccc1)C(N)=O
InChIInChI=1S/C8H10N4OS/c9-7(10)12(8(11)13)14-6-4-2-1-3-5-6/h1-5H,(H3,9,10)(H2,11,13)
InChIKeyRJJIWFUESNSTRO-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.97
Rot. Bonds2

About 1-carbamimidoyl-1-phenylsulfanylurea

1-carbamimidoyl-1-phenylsulfanylurea (PubChem CID 87474581) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-carbamimidoyl-1-phenylsulfanylurea.

Molecular Properties

Compound Name1-carbamimidoyl-1-phenylsulfanylurea
PubChem CID87474581
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-carbamimidoyl-1-phenylsulfanylurea
SMILES[H]/N=C(\N)N(Sc1ccccc1)C(N)=O
InChIInChI=1S/C8H10N4OS/c9-7(10)12(8(11)13)14-6-4-2-1-3-5-6/h1-5H,(H3,9,10)(H2,11,13)
InChIKeyRJJIWFUESNSTRO-UHFFFAOYSA-N
XLogP0.97
TPSA96.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-carbamimidoyl-1-phenylsulfanylurea?
The IUPAC name of 1-carbamimidoyl-1-phenylsulfanylurea (CID 87474581) is 1-carbamimidoyl-1-phenylsulfanylurea.
What is the SMILES notation for 1-carbamimidoyl-1-phenylsulfanylurea?
The canonical SMILES for 1-carbamimidoyl-1-phenylsulfanylurea is [H]/N=C(\N)N(Sc1ccccc1)C(N)=O.
What is the InChIKey of 1-carbamimidoyl-1-phenylsulfanylurea?
The InChIKey is RJJIWFUESNSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-7(10)12(8(11)13)14-6-4-2-1-3-5-6/h1-5H,(H3,9,10)(H2,11,13).
What are the key properties of 1-carbamimidoyl-1-phenylsulfanylurea?
1-carbamimidoyl-1-phenylsulfanylurea has a molecular weight of 210.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-phenylsulfanylurea is sourced from PubChem (CID 87474581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).