(N'-phenylsulfanylcarbamimidoyl)urea

C8H10N4OS — CID 154427424

IUPAC(N'-phenylsulfanylcarbamimidoyl)urea
SMILESNC(=O)NC(N)=NSc1ccccc1
InChIInChI=1S/C8H10N4OS/c9-7(11-8(10)13)12-14-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13)
InChIKeyPKIISBCGRLWVER-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.68
Rot. Bonds2

About (N'-phenylsulfanylcarbamimidoyl)urea

(N'-phenylsulfanylcarbamimidoyl)urea (PubChem CID 154427424) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is (N'-phenylsulfanylcarbamimidoyl)urea.

Molecular Properties

Compound Name(N'-phenylsulfanylcarbamimidoyl)urea
PubChem CID154427424
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name(N'-phenylsulfanylcarbamimidoyl)urea
SMILESNC(=O)NC(N)=NSc1ccccc1
InChIInChI=1S/C8H10N4OS/c9-7(11-8(10)13)12-14-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13)
InChIKeyPKIISBCGRLWVER-UHFFFAOYSA-N
XLogP0.68
TPSA93.50 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 ≤ 50.68
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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Related Compounds

(N'-benzylsulfanylcarbamimidoyl)urea
CID 154427423
2-phenylsulfanylguanidine
CID 18506745
[(E)-N'-phenylsulfanylcarbamimidoyl] carbamate
CID 23335468
phenylsulfanylurea
CID 22219022
phenylsulfanylbenzene;urea
CID 161199097
N-carbamoylbenzamide;urea
CID 157303801
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
CID 135898797
N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
CID 70008236
carbamoylurea;styrene
CID 175233762
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
N'-(phenyldisulfanyl)oxamide
CID 19891866
2-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282102

Frequently Asked Questions

What is the IUPAC name of (N'-phenylsulfanylcarbamimidoyl)urea?
The IUPAC name of (N'-phenylsulfanylcarbamimidoyl)urea (CID 154427424) is (N'-phenylsulfanylcarbamimidoyl)urea.
What is the SMILES notation for (N'-phenylsulfanylcarbamimidoyl)urea?
The canonical SMILES for (N'-phenylsulfanylcarbamimidoyl)urea is NC(=O)NC(N)=NSc1ccccc1.
What is the InChIKey of (N'-phenylsulfanylcarbamimidoyl)urea?
The InChIKey is PKIISBCGRLWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-7(11-8(10)13)12-14-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13).
What are the key properties of (N'-phenylsulfanylcarbamimidoyl)urea?
(N'-phenylsulfanylcarbamimidoyl)urea has a molecular weight of 210.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N'-phenylsulfanylcarbamimidoyl)urea is sourced from PubChem (CID 154427424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).