1-phenyl-3-thiophen-2-ylthiourea

C11H10N2S2 — CID 22411779

IUPAC1-phenyl-3-thiophen-2-ylthiourea
SMILESS=C(Nc1ccccc1)Nc1cccs1
InChIInChI=1S/C11H10N2S2/c14-11(13-10-7-4-8-15-10)12-9-5-2-1-3-6-9/h1-8H,(H2,12,13,14)
InChIKeyBLMAZZIHNCRLLZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.56
Rot. Bonds2

About 1-phenyl-3-thiophen-2-ylthiourea

1-phenyl-3-thiophen-2-ylthiourea (PubChem CID 22411779) has the molecular formula C11H10N2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylthiourea.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylthiourea
PubChem CID22411779
Molecular FormulaC11H10N2S2
Molecular Weight234.35 g/mol
Exact Mass234.03
IUPAC Name1-phenyl-3-thiophen-2-ylthiourea
SMILESS=C(Nc1ccccc1)Nc1cccs1
InChIInChI=1S/C11H10N2S2/c14-11(13-10-7-4-8-15-10)12-9-5-2-1-3-6-9/h1-8H,(H2,12,13,14)
InChIKeyBLMAZZIHNCRLLZ-UHFFFAOYSA-N
XLogP3.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
thiophen-2-ylcarbamic acid
CID 19432670
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-phenylthiourea
CID 22830769
phenylcarbamodithioic acid;hydrochloride
CID 141118460
1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
N-thiophen-2-ylcarbamate
CID 19956166
1-(methylamino)-3-phenylthiourea
CID 13456646
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
1-phenyl-3-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]thiourea
CID 46217219

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylthiourea?
The IUPAC name of 1-phenyl-3-thiophen-2-ylthiourea (CID 22411779) is 1-phenyl-3-thiophen-2-ylthiourea.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylthiourea?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylthiourea is S=C(Nc1ccccc1)Nc1cccs1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylthiourea?
The InChIKey is BLMAZZIHNCRLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S2/c14-11(13-10-7-4-8-15-10)12-9-5-2-1-3-6-9/h1-8H,(H2,12,13,14).
What are the key properties of 1-phenyl-3-thiophen-2-ylthiourea?
1-phenyl-3-thiophen-2-ylthiourea has a molecular weight of 234.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylthiourea is sourced from PubChem (CID 22411779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).