1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea

C10H18N4S2 — CID 3038372

IUPAC1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
SMILESC=CCNC(=S)NCCNC(=S)NCC=C
InChIInChI=1S/C10H18N4S2/c1-3-5-11-9(15)13-7-8-14-10(16)12-6-4-2/h3-4H,1-2,5-8H2,(H2,11,13,15)(H2,12,14,16)
InChIKeyDZNRNWRYYIFSSG-UHFFFAOYSA-N
MW258.42 g/mol
LogP0.29
Rot. Bonds7

About 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea

1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea (PubChem CID 3038372) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
PubChem CID3038372
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
SMILESC=CCNC(=S)NCCNC(=S)NCC=C
InChIInChI=1S/C10H18N4S2/c1-3-5-11-9(15)13-7-8-14-10(16)12-6-4-2/h3-4H,1-2,5-8H2,(H2,11,13,15)(H2,12,14,16)
InChIKeyDZNRNWRYYIFSSG-UHFFFAOYSA-N
XLogP0.29
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 50.29
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea?
The IUPAC name of 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea (CID 3038372) is 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea?
The canonical SMILES for 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea is C=CCNC(=S)NCCNC(=S)NCC=C.
What is the InChIKey of 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea?
The InChIKey is DZNRNWRYYIFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-3-5-11-9(15)13-7-8-14-10(16)12-6-4-2/h3-4H,1-2,5-8H2,(H2,11,13,15)(H2,12,14,16).
What are the key properties of 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea?
1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea has a molecular weight of 258.42 g/mol, XLogP of 0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea is sourced from PubChem (CID 3038372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).