(2,3,3-triethylpentylideneamino)thiourea

C12H25N3S — CID 121266890

IUPAC(2,3,3-triethylpentylideneamino)thiourea
SMILESCCC(C=NNC(N)=S)C(CC)(CC)CC
InChIInChI=1S/C12H25N3S/c1-5-10(9-14-15-11(13)16)12(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3,(H3,13,15,16)
InChIKeyUQCPFBTWTSMJQD-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.05
Rot. Bonds7

About (2,3,3-triethylpentylideneamino)thiourea

(2,3,3-triethylpentylideneamino)thiourea (PubChem CID 121266890) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is (2,3,3-triethylpentylideneamino)thiourea.

Molecular Properties

Compound Name(2,3,3-triethylpentylideneamino)thiourea
PubChem CID121266890
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name(2,3,3-triethylpentylideneamino)thiourea
SMILESCCC(C=NNC(N)=S)C(CC)(CC)CC
InChIInChI=1S/C12H25N3S/c1-5-10(9-14-15-11(13)16)12(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3,(H3,13,15,16)
InChIKeyUQCPFBTWTSMJQD-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,3-triethylpentylideneamino)thiourea?
The IUPAC name of (2,3,3-triethylpentylideneamino)thiourea (CID 121266890) is (2,3,3-triethylpentylideneamino)thiourea.
What is the SMILES notation for (2,3,3-triethylpentylideneamino)thiourea?
The canonical SMILES for (2,3,3-triethylpentylideneamino)thiourea is CCC(C=NNC(N)=S)C(CC)(CC)CC.
What is the InChIKey of (2,3,3-triethylpentylideneamino)thiourea?
The InChIKey is UQCPFBTWTSMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-5-10(9-14-15-11(13)16)12(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3,(H3,13,15,16).
What are the key properties of (2,3,3-triethylpentylideneamino)thiourea?
(2,3,3-triethylpentylideneamino)thiourea has a molecular weight of 243.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-triethylpentylideneamino)thiourea is sourced from PubChem (CID 121266890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).