1,1-di(propan-2-yl)-3-propylthiourea

C10H22N2S — CID 170848826

IUPAC1,1-di(propan-2-yl)-3-propylthiourea
SMILESCCCNC(=S)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-6-7-11-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyZLTZYURGKAXDTK-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.39
Rot. Bonds4

About 1,1-di(propan-2-yl)-3-propylthiourea

1,1-di(propan-2-yl)-3-propylthiourea (PubChem CID 170848826) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)-3-propylthiourea.

Molecular Properties

Compound Name1,1-di(propan-2-yl)-3-propylthiourea
PubChem CID170848826
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1,1-di(propan-2-yl)-3-propylthiourea
SMILESCCCNC(=S)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-6-7-11-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyZLTZYURGKAXDTK-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibutylthiourea
CID 2723622
Diisopropylthiourea
CID 2758386
Tributylthiourea
CID 3032425
1,3-Dipropyl-2-thiourea
CID 2801214
N-(tert-butyl)-N'-cyclopropylthiourea
CID 2798326
N,N'-Bis(2-methylpropyl)thiourea
CID 3035343
N,N,N'-Triethylthiourea
CID 3589091
Pseudourea, 3-(diethylaminopropyl)-2-thio-
CID 3034968
3,3-Dimethyl-1-(propan-2-yl)thiourea
CID 43384743
[(2S)-butan-2-yl]thiourea
CID 2432029
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
Urea, 1,3-bis(3-(dimethylamino)propyl)-2-thio-
CID 3037325

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)-3-propylthiourea?
The IUPAC name of 1,1-di(propan-2-yl)-3-propylthiourea (CID 170848826) is 1,1-di(propan-2-yl)-3-propylthiourea.
What is the SMILES notation for 1,1-di(propan-2-yl)-3-propylthiourea?
The canonical SMILES for 1,1-di(propan-2-yl)-3-propylthiourea is CCCNC(=S)N(C(C)C)C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)-3-propylthiourea?
The InChIKey is ZLTZYURGKAXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-6-7-11-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3,(H,11,13).
What are the key properties of 1,1-di(propan-2-yl)-3-propylthiourea?
1,1-di(propan-2-yl)-3-propylthiourea has a molecular weight of 202.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)-3-propylthiourea is sourced from PubChem (CID 170848826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).