1,3-bis[(1R)-1-phenylethyl]thiourea

C17H20N2S — CID 11818469

IUPAC1,3-bis[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1
InChIKeyOCIUEYSMBBAERM-ZIAGYGMSSA-N
MW284.43 g/mol
LogP3.97
Rot. Bonds4

About 1,3-bis[(1R)-1-phenylethyl]thiourea

1,3-bis[(1R)-1-phenylethyl]thiourea (PubChem CID 11818469) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-bis[(1R)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1,3-bis[(1R)-1-phenylethyl]thiourea
PubChem CID11818469
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-bis[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1
InChIKeyOCIUEYSMBBAERM-ZIAGYGMSSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-[(2S)-butan-2-yl]-3-[(1S)-1-phenylethyl]thiourea
CID 101001984
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[(1S)-1-(4-phenylphenyl)ethyl]-3-propan-2-ylthiourea
CID 8903102
1-benzhydryl-3-[1-(4-bromophenyl)ethyl]thiourea
CID 3304972
[(1R)-1-phenylethyl]thiourea
CID 696701
1-phenylethylcarbamodithioic acid
CID 3032776
potassium N-(1-phenylethyl)carbamodithioate
CID 23667328
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1R)-1-phenylethyl]thiourea?
The IUPAC name of 1,3-bis[(1R)-1-phenylethyl]thiourea (CID 11818469) is 1,3-bis[(1R)-1-phenylethyl]thiourea.
What is the SMILES notation for 1,3-bis[(1R)-1-phenylethyl]thiourea?
The canonical SMILES for 1,3-bis[(1R)-1-phenylethyl]thiourea is C[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis[(1R)-1-phenylethyl]thiourea?
The InChIKey is OCIUEYSMBBAERM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N2S/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1.
What are the key properties of 1,3-bis[(1R)-1-phenylethyl]thiourea?
1,3-bis[(1R)-1-phenylethyl]thiourea has a molecular weight of 284.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1R)-1-phenylethyl]thiourea is sourced from PubChem (CID 11818469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).