[(Z)-1,2-diphenylethenyl]thiourea

C15H14N2S — CID 23264124

IUPAC[(Z)-1,2-diphenylethenyl]thiourea
SMILESNC(=S)N/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2S/c16-15(18)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H3,16,17,18)/b14-11-
InChIKeyAGRSYDXZLBPEKT-KAMYIIQDSA-N
MW254.36 g/mol
LogP3.02
Rot. Bonds3

About [(Z)-1,2-diphenylethenyl]thiourea

[(Z)-1,2-diphenylethenyl]thiourea (PubChem CID 23264124) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is [(Z)-1,2-diphenylethenyl]thiourea.

Molecular Properties

Compound Name[(Z)-1,2-diphenylethenyl]thiourea
PubChem CID23264124
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name[(Z)-1,2-diphenylethenyl]thiourea
SMILESNC(=S)N/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2S/c16-15(18)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H3,16,17,18)/b14-11-
InChIKeyAGRSYDXZLBPEKT-KAMYIIQDSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
N-carbamothioylbenzamide;naphthalene
CID 20980035
N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
CID 173126547
CID 173126547
(Z)-2-cyano-3-phenylprop-2-enethioamide
CID 1487476
(1-phenylethylideneamino)thiourea
CID 912962
(Z)-2-isocyano-3-phenylprop-2-enethioamide
CID 140847112
(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828
[4-(1-phenylethenyl)phenyl]thiourea
CID 169359445
2,5-bis[(E)-1,2-diphenylethenyl]thiophene
CID 12965056
[(E)-1,2-diphenylethenyl]-diphenylphosphane
CID 11152728

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-diphenylethenyl]thiourea?
The IUPAC name of [(Z)-1,2-diphenylethenyl]thiourea (CID 23264124) is [(Z)-1,2-diphenylethenyl]thiourea.
What is the SMILES notation for [(Z)-1,2-diphenylethenyl]thiourea?
The canonical SMILES for [(Z)-1,2-diphenylethenyl]thiourea is NC(=S)N/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1,2-diphenylethenyl]thiourea?
The InChIKey is AGRSYDXZLBPEKT-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H14N2S/c16-15(18)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H3,16,17,18)/b14-11-.
What are the key properties of [(Z)-1,2-diphenylethenyl]thiourea?
[(Z)-1,2-diphenylethenyl]thiourea has a molecular weight of 254.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diphenylethenyl]thiourea is sourced from PubChem (CID 23264124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).