3-(diethylamino)propylthiourea

C8H19N3S — CID 3034968

IUPAC3-(diethylamino)propylthiourea
SMILESCCN(CC)CCCNC(N)=S
InChIInChI=1S/C8H19N3S/c1-3-11(4-2)7-5-6-10-8(9)12/h3-7H2,1-2H3,(H3,9,10,12)
InChIKeyMZTUVEBFKDPDHC-UHFFFAOYSA-N
MW189.33 g/mol
LogP0.55
Rot. Bonds6

About 3-(diethylamino)propylthiourea

3-(diethylamino)propylthiourea (PubChem CID 3034968) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 3-(diethylamino)propylthiourea.

Molecular Properties

Compound Name3-(diethylamino)propylthiourea
PubChem CID3034968
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name3-(diethylamino)propylthiourea
SMILESCCN(CC)CCCNC(N)=S
InChIInChI=1S/C8H19N3S/c1-3-11(4-2)7-5-6-10-8(9)12/h3-7H2,1-2H3,(H3,9,10,12)
InChIKeyMZTUVEBFKDPDHC-UHFFFAOYSA-N
XLogP0.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibutylthiourea
CID 2723622
Tributylthiourea
CID 3032425
Propyl-2-thiourea
CID 1615208
1,3-Dipropyl-2-thiourea
CID 2801214
1-Butyltetrahydro-2(1H)-pyrimidinethione
CID 3000716
N,N,N'-Triethylthiourea
CID 3589091
Carbamic acid, N-(3-(diethylamino)propyl)dithio-
CID 3032697
Di-n-butylthiourea
CID 3037143
(3-(Dimethylamino)propyl)thiourea
CID 1810294
Urea, 1,3-bis(3-(dimethylamino)propyl)-2-thio-
CID 3037325
1,1-Dipropylthiourea
CID 11829737
1,1,3-Tri(propan-2-yl)thiourea
CID 14423924

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propylthiourea?
The IUPAC name of 3-(diethylamino)propylthiourea (CID 3034968) is 3-(diethylamino)propylthiourea.
What is the SMILES notation for 3-(diethylamino)propylthiourea?
The canonical SMILES for 3-(diethylamino)propylthiourea is CCN(CC)CCCNC(N)=S.
What is the InChIKey of 3-(diethylamino)propylthiourea?
The InChIKey is MZTUVEBFKDPDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3S/c1-3-11(4-2)7-5-6-10-8(9)12/h3-7H2,1-2H3,(H3,9,10,12).
What are the key properties of 3-(diethylamino)propylthiourea?
3-(diethylamino)propylthiourea has a molecular weight of 189.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propylthiourea is sourced from PubChem (CID 3034968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).