1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea

C10H22N2OS2 — CID 115635665

IUPAC1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NC(C)CCSC
InChIInChI=1S/C10H22N2OS2/c1-8(5-6-15-4)11-10(14)12-9(2)7-13-3/h8-9H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyCLNMNTBSGCANMP-UHFFFAOYSA-N
MW250.43 g/mol
LogP1.63
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea

1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea (PubChem CID 115635665) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
PubChem CID115635665
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC Name1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NC(C)CCSC
InChIInChI=1S/C10H22N2OS2/c1-8(5-6-15-4)11-10(14)12-9(2)7-13-3/h8-9H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyCLNMNTBSGCANMP-UHFFFAOYSA-N
XLogP1.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828
1-ethyl-3-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635668
3-(1-methoxypropan-2-yl)-1-methyl-1-(2-methylsulfanylethyl)thiourea
CID 115687485
1-(4-methylsulfanylbutan-2-yl)-3-propylthiourea
CID 115635658
1-(1-methoxypropan-2-yl)-3-(4-methylhexan-2-yl)thiourea
CID 115662327
1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115642333
1-(1-methoxypropan-2-yl)-3-(7-methyloctyl)thiourea
CID 103601039
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
1-(1-methoxypropan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769816
methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
1-amino-3-(4-methoxybutan-2-yl)thiourea
CID 64603866
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea (CID 115635665) is 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea is COCC(C)NC(=S)NC(C)CCSC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea?
The InChIKey is CLNMNTBSGCANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-8(5-6-15-4)11-10(14)12-9(2)7-13-3/h8-9H,5-7H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea?
1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea has a molecular weight of 250.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea is sourced from PubChem (CID 115635665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).