(dipropylamino)thiourea

C7H17N3S — CID 86251649

IUPAC(dipropylamino)thiourea
SMILESCCCN(CCC)NC(N)=S
InChIInChI=1S/C7H17N3S/c1-3-5-10(6-4-2)9-7(8)11/h3-6H2,1-2H3,(H3,8,9,11)
InChIKeyOYSPQYGCJODMQJ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.86
Rot. Bonds5

About (dipropylamino)thiourea

(dipropylamino)thiourea (PubChem CID 86251649) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is (dipropylamino)thiourea.

Molecular Properties

Compound Name(dipropylamino)thiourea
PubChem CID86251649
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name(dipropylamino)thiourea
SMILESCCCN(CCC)NC(N)=S
InChIInChI=1S/C7H17N3S/c1-3-5-10(6-4-2)9-7(8)11/h3-6H2,1-2H3,(H3,8,9,11)
InChIKeyOYSPQYGCJODMQJ-UHFFFAOYSA-N
XLogP0.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-diethyl thiosemicarbazide
CID 55290674
[Ethyl(methyl)amino]thiourea
CID 55290298
[Di(propan-2-yl)amino]thiourea
CID 85705799
(Dipentylamino)thiourea
CID 118437494
(Dipentylamino)thiourea;thiourea
CID 118437524
(2,2-Dipropylhydrazinyl)methanamine
CID 175444167
[Methyl(propan-2-yl)amino]thiourea
CID 177942299
1-Amino-3-(dipropylamino)thiourea
CID 55281697
1-Amino-3-[di(propan-2-yl)amino]thiourea
CID 55281778
1-Amino-3-(diethylamino)thiourea
CID 173459382

Frequently Asked Questions

What is the IUPAC name of (dipropylamino)thiourea?
The IUPAC name of (dipropylamino)thiourea (CID 86251649) is (dipropylamino)thiourea.
What is the SMILES notation for (dipropylamino)thiourea?
The canonical SMILES for (dipropylamino)thiourea is CCCN(CCC)NC(N)=S.
What is the InChIKey of (dipropylamino)thiourea?
The InChIKey is OYSPQYGCJODMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-3-5-10(6-4-2)9-7(8)11/h3-6H2,1-2H3,(H3,8,9,11).
What are the key properties of (dipropylamino)thiourea?
(dipropylamino)thiourea has a molecular weight of 175.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dipropylamino)thiourea is sourced from PubChem (CID 86251649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).