1-(2-methoxyethyl)-3-prop-2-enylthiourea

C7H14N2OS — CID 19652099

IUPAC1-(2-methoxyethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCOC
InChIInChI=1S/C7H14N2OS/c1-3-4-8-7(11)9-5-6-10-2/h3H,1,4-6H2,2H3,(H2,8,9,11)
InChIKeyWHBJPTLBFLDDMN-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.28
Rot. Bonds5

About 1-(2-methoxyethyl)-3-prop-2-enylthiourea

1-(2-methoxyethyl)-3-prop-2-enylthiourea (PubChem CID 19652099) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-prop-2-enylthiourea
PubChem CID19652099
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-(2-methoxyethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCOC
InChIInChI=1S/C7H14N2OS/c1-3-4-8-7(11)9-5-6-10-2/h3H,1,4-6H2,2H3,(H2,8,9,11)
InChIKeyWHBJPTLBFLDDMN-UHFFFAOYSA-N
XLogP0.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea
CID 3641995
1-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100584082
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-but-3-ynyl-3-prop-2-enylthiourea
CID 131208718
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-[4-(2-methoxyethoxy)phenyl]-3-prop-2-enylthiourea
CID 26169463
1-(dimethylamino)-3-(2-methoxyethyl)thiourea
CID 115570440
1-(2,3-dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 115642325
1-butyl-3-(2-ethenoxyethyl)thiourea
CID 14467739
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
CID 115760801
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-prop-2-enylthiourea (CID 19652099) is 1-(2-methoxyethyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-prop-2-enylthiourea is C=CCNC(=S)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-prop-2-enylthiourea?
The InChIKey is WHBJPTLBFLDDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-3-4-8-7(11)9-5-6-10-2/h3H,1,4-6H2,2H3,(H2,8,9,11).
What are the key properties of 1-(2-methoxyethyl)-3-prop-2-enylthiourea?
1-(2-methoxyethyl)-3-prop-2-enylthiourea has a molecular weight of 174.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 19652099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).