aminothiourea;phenyl carbamate

C8H12N4O2S — CID 174929265

IUPACaminothiourea;phenyl carbamate
SMILESNC(=O)Oc1ccccc1.NNC(N)=S
InChIInChI=1S/C7H7NO2.CH5N3S/c8-7(9)10-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H,(H2,8,9);3H2,(H3,2,4,5)
InChIKeyLEDFWZWULICHEF-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.16
Rot. Bonds1

About aminothiourea;phenyl carbamate

aminothiourea;phenyl carbamate (PubChem CID 174929265) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is aminothiourea;phenyl carbamate.

Molecular Properties

Compound Nameaminothiourea;phenyl carbamate
PubChem CID174929265
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Nameaminothiourea;phenyl carbamate
SMILESNC(=O)Oc1ccccc1.NNC(N)=S
InChIInChI=1S/C7H7NO2.CH5N3S/c8-7(9)10-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H,(H2,8,9);3H2,(H3,2,4,5)
InChIKeyLEDFWZWULICHEF-UHFFFAOYSA-N
XLogP-0.16
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminothiourea;phenyl carbamate?
The IUPAC name of aminothiourea;phenyl carbamate (CID 174929265) is aminothiourea;phenyl carbamate.
What is the SMILES notation for aminothiourea;phenyl carbamate?
The canonical SMILES for aminothiourea;phenyl carbamate is NC(=O)Oc1ccccc1.NNC(N)=S.
What is the InChIKey of aminothiourea;phenyl carbamate?
The InChIKey is LEDFWZWULICHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.CH5N3S/c8-7(9)10-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H,(H2,8,9);3H2,(H3,2,4,5).
What are the key properties of aminothiourea;phenyl carbamate?
aminothiourea;phenyl carbamate has a molecular weight of 228.28 g/mol, XLogP of -0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;phenyl carbamate is sourced from PubChem (CID 174929265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).