1-amino-3-(4-methylpentan-2-yl)thiourea

C7H17N3S — CID 43372344

IUPAC1-amino-3-(4-methylpentan-2-yl)thiourea
SMILESCC(C)CC(C)NC(=S)NN
InChIInChI=1S/C7H17N3S/c1-5(2)4-6(3)9-7(11)10-8/h5-6H,4,8H2,1-3H3,(H2,9,10,11)
InChIKeySLFZKACMKDDDAQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.76
Rot. Bonds3

About 1-amino-3-(4-methylpentan-2-yl)thiourea

1-amino-3-(4-methylpentan-2-yl)thiourea (PubChem CID 43372344) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-amino-3-(4-methylpentan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-methylpentan-2-yl)thiourea
PubChem CID43372344
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name1-amino-3-(4-methylpentan-2-yl)thiourea
SMILESCC(C)CC(C)NC(=S)NN
InChIInChI=1S/C7H17N3S/c1-5(2)4-6(3)9-7(11)10-8/h5-6H,4,8H2,1-3H3,(H2,9,10,11)
InChIKeySLFZKACMKDDDAQ-UHFFFAOYSA-N
XLogP0.76
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methylpentan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(4-methylpentan-2-yl)thiourea (CID 43372344) is 1-amino-3-(4-methylpentan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(4-methylpentan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(4-methylpentan-2-yl)thiourea is CC(C)CC(C)NC(=S)NN.
What is the InChIKey of 1-amino-3-(4-methylpentan-2-yl)thiourea?
The InChIKey is SLFZKACMKDDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-5(2)4-6(3)9-7(11)10-8/h5-6H,4,8H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-amino-3-(4-methylpentan-2-yl)thiourea?
1-amino-3-(4-methylpentan-2-yl)thiourea has a molecular weight of 175.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methylpentan-2-yl)thiourea is sourced from PubChem (CID 43372344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).