[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea

C10H11N3OS — CID 25234557

IUPAC[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea
SMILESNC(=S)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C10H11N3OS/c11-10(15)13-12-8-5-6-14-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,15)/b12-8-
InChIKeyBUDGVSJEMNOJIO-WQLSENKSSA-N
MW221.28 g/mol
LogP1.01
Rot. Bonds1

About [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea

[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea (PubChem CID 25234557) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea
PubChem CID25234557
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea
SMILESNC(=S)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C10H11N3OS/c11-10(15)13-12-8-5-6-14-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,15)/b12-8-
InChIKeyBUDGVSJEMNOJIO-WQLSENKSSA-N
XLogP1.01
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(7-bromo-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 91410710
1-(2,3-dihydrochromen-4-ylideneamino)-3-(2-fluorophenyl)thiourea
CID 8978703
(2,3-dihydrobenzo[f]chromen-1-ylideneamino)thiourea
CID 2806980
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
CID 9465772
[(Z)-(2-oxooxolan-3-ylidene)amino]thiourea
CID 45490185
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
1-[(Z)-2,3-dihydrochromen-4-ylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8978926
[(Z)-(3-oxoinden-1-ylidene)amino]thiourea
CID 6520999
1-[(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-3-phenylthiourea
CID 5138245
(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
CID 93092105
[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea
CID 102009918
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea?
The IUPAC name of [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea (CID 25234557) is [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea.
What is the SMILES notation for [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea?
The canonical SMILES for [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea is NC(=S)N/N=C1/CCOc2ccccc21.
What is the InChIKey of [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea?
The InChIKey is BUDGVSJEMNOJIO-WQLSENKSSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-10(15)13-12-8-5-6-14-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,15)/b12-8-.
What are the key properties of [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea?
[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea has a molecular weight of 221.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea is sourced from PubChem (CID 25234557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).