1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea

C10H22N2O2S2 — CID 116510199

IUPAC1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea
SMILESCCOCCCNC(=S)NC(C)CS(C)=O
InChIInChI=1S/C10H22N2O2S2/c1-4-14-7-5-6-11-10(15)12-9(2)8-16(3)13/h9H,4-8H2,1-3H3,(H2,11,12,15)
InChIKeyBUPSCQTVVZIZEC-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.64
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea

1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea (PubChem CID 116510199) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea
PubChem CID116510199
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea
SMILESCCOCCCNC(=S)NC(C)CS(C)=O
InChIInChI=1S/C10H22N2O2S2/c1-4-14-7-5-6-11-10(15)12-9(2)8-16(3)13/h9H,4-8H2,1-3H3,(H2,11,12,15)
InChIKeyBUPSCQTVVZIZEC-UHFFFAOYSA-N
XLogP0.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-pentan-2-ylthiourea
CID 115570086
1-[4-(dimethylamino)butan-2-yl]-3-(3-ethoxypropyl)thiourea
CID 113227846
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
CID 115596881
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-(2-methoxyethyl)-3-(4-methylsulfinylbutan-2-yl)thiourea
CID 116510261
1-(3-methylsulfinylpropyl)-3-propan-2-ylthiourea
CID 116510209
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
1-(3-ethoxypropyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 113221814

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea (CID 116510199) is 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea is CCOCCCNC(=S)NC(C)CS(C)=O.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea?
The InChIKey is BUPSCQTVVZIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-4-14-7-5-6-11-10(15)12-9(2)8-16(3)13/h9H,4-8H2,1-3H3,(H2,11,12,15).
What are the key properties of 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea?
1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea has a molecular weight of 266.43 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea is sourced from PubChem (CID 116510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).