[4-(thiophene-2-carbonyl)phenyl]thiourea

C12H10N2OS2 — CID 95560975

IUPAC[4-(thiophene-2-carbonyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C12H10N2OS2/c13-12(16)14-9-5-3-8(4-6-9)11(15)10-2-1-7-17-10/h1-7H,(H3,13,14,16)
InChIKeyDQUDSQXBFAFABF-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.63
Rot. Bonds3

About [4-(thiophene-2-carbonyl)phenyl]thiourea

[4-(thiophene-2-carbonyl)phenyl]thiourea (PubChem CID 95560975) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is [4-(thiophene-2-carbonyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(thiophene-2-carbonyl)phenyl]thiourea
PubChem CID95560975
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name[4-(thiophene-2-carbonyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C12H10N2OS2/c13-12(16)14-9-5-3-8(4-6-9)11(15)10-2-1-7-17-10/h1-7H,(H3,13,14,16)
InChIKeyDQUDSQXBFAFABF-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
CID 140948266
N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide
CID 70637391
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonyl)phenyl]thiourea?
The IUPAC name of [4-(thiophene-2-carbonyl)phenyl]thiourea (CID 95560975) is [4-(thiophene-2-carbonyl)phenyl]thiourea.
What is the SMILES notation for [4-(thiophene-2-carbonyl)phenyl]thiourea?
The canonical SMILES for [4-(thiophene-2-carbonyl)phenyl]thiourea is NC(=S)Nc1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonyl)phenyl]thiourea?
The InChIKey is DQUDSQXBFAFABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c13-12(16)14-9-5-3-8(4-6-9)11(15)10-2-1-7-17-10/h1-7H,(H3,13,14,16).
What are the key properties of [4-(thiophene-2-carbonyl)phenyl]thiourea?
[4-(thiophene-2-carbonyl)phenyl]thiourea has a molecular weight of 262.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonyl)phenyl]thiourea is sourced from PubChem (CID 95560975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).