1,1,3,3-tetrakis(1-hydroxypropyl)thiourea

C13H28N2O4S — CID 21489809

IUPAC1,1,3,3-tetrakis(1-hydroxypropyl)thiourea
SMILESCCC(O)N(C(=S)N(C(O)CC)C(O)CC)C(O)CC
InChIInChI=1S/C13H28N2O4S/c1-5-9(16)14(10(17)6-2)13(20)15(11(18)7-3)12(19)8-4/h9-12,16-19H,5-8H2,1-4H3
InChIKeyVCITZSZKVBJEJU-UHFFFAOYSA-N
MW308.44 g/mol
LogP0.79
Rot. Bonds8

About 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea

1,1,3,3-tetrakis(1-hydroxypropyl)thiourea (PubChem CID 21489809) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(1-hydroxypropyl)thiourea
PubChem CID21489809
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name1,1,3,3-tetrakis(1-hydroxypropyl)thiourea
SMILESCCC(O)N(C(=S)N(C(O)CC)C(O)CC)C(O)CC
InChIInChI=1S/C13H28N2O4S/c1-5-9(16)14(10(17)6-2)13(20)15(11(18)7-3)12(19)8-4/h9-12,16-19H,5-8H2,1-4H3
InChIKeyVCITZSZKVBJEJU-UHFFFAOYSA-N
XLogP0.79
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea?
The IUPAC name of 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea (CID 21489809) is 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea.
What is the SMILES notation for 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea?
The canonical SMILES for 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea is CCC(O)N(C(=S)N(C(O)CC)C(O)CC)C(O)CC.
What is the InChIKey of 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea?
The InChIKey is VCITZSZKVBJEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-5-9(16)14(10(17)6-2)13(20)15(11(18)7-3)12(19)8-4/h9-12,16-19H,5-8H2,1-4H3.
What are the key properties of 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea?
1,1,3,3-tetrakis(1-hydroxypropyl)thiourea has a molecular weight of 308.44 g/mol, XLogP of 0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(1-hydroxypropyl)thiourea is sourced from PubChem (CID 21489809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).