1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea

C14H20N2OS — CID 115571937

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1CCOc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-10(2)9-15-14(18)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyFMYCNSVIOQZCHV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.63
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea (PubChem CID 115571937) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea
PubChem CID115571937
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1CCOc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-10(2)9-15-14(18)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyFMYCNSVIOQZCHV-UHFFFAOYSA-N
XLogP2.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.63
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

1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxypropyl)thiourea
CID 115571169
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318
methyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamothioylamino]butanoate
CID 9095280
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082558
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082557
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea (CID 115571937) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea?
The InChIKey is FMYCNSVIOQZCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)9-15-14(18)16-12-7-8-17-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea has a molecular weight of 264.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115571937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).