1-cyclohexylpropylthiourea

C10H20N2S — CID 62407553

IUPAC1-cyclohexylpropylthiourea
SMILESCCC(NC(N)=S)C1CCCCC1
InChIInChI=1S/C10H20N2S/c1-2-9(12-10(11)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H3,11,12,13)
InChIKeyKVAMPMSBEGYJTO-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.18
Rot. Bonds3

About 1-cyclohexylpropylthiourea

1-cyclohexylpropylthiourea (PubChem CID 62407553) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclohexylpropylthiourea.

Molecular Properties

Compound Name1-cyclohexylpropylthiourea
PubChem CID62407553
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cyclohexylpropylthiourea
SMILESCCC(NC(N)=S)C1CCCCC1
InChIInChI=1S/C10H20N2S/c1-2-9(12-10(11)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H3,11,12,13)
InChIKeyKVAMPMSBEGYJTO-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
CID 115602012
N-(1-cyclohexylpropyl)acetamide
CID 45119320
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
1-amino-3-(1-cyclohexylpropyl)-2-ethylguanidine
CID 104884009
3-amino-N-(1-cyclohexylpropyl)cyclohexane-1-carboxamide
CID 62776840
2-(1-cyclohexylpropylamino)propan-1-ol
CID 115724810
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
N-(1-cyclobutylpropyl)acetamide
CID 127002620

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropylthiourea?
The IUPAC name of 1-cyclohexylpropylthiourea (CID 62407553) is 1-cyclohexylpropylthiourea.
What is the SMILES notation for 1-cyclohexylpropylthiourea?
The canonical SMILES for 1-cyclohexylpropylthiourea is CCC(NC(N)=S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylpropylthiourea?
The InChIKey is KVAMPMSBEGYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-9(12-10(11)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclohexylpropylthiourea?
1-cyclohexylpropylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropylthiourea is sourced from PubChem (CID 62407553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).