1-amino-3-[di(propan-2-yl)amino]thiourea

C7H18N4S — CID 55281778

IUPAC1-amino-3-[di(propan-2-yl)amino]thiourea
SMILESCC(C)N(NC(=S)NN)C(C)C
InChIInChI=1S/C7H18N4S/c1-5(2)11(6(3)4)10-7(12)9-8/h5-6H,8H2,1-4H3,(H2,9,10,12)
InChIKeyBYROSCGFRFSRPF-UHFFFAOYSA-N
MW190.32 g/mol
LogP0.36
Rot. Bonds3

About 1-amino-3-[di(propan-2-yl)amino]thiourea

1-amino-3-[di(propan-2-yl)amino]thiourea (PubChem CID 55281778) has the molecular formula C7H18N4S and a molecular weight of 190.32 g/mol. Its IUPAC name is 1-amino-3-[di(propan-2-yl)amino]thiourea.

Molecular Properties

Compound Name1-amino-3-[di(propan-2-yl)amino]thiourea
PubChem CID55281778
Molecular FormulaC7H18N4S
Molecular Weight190.32 g/mol
Exact Mass190.13
IUPAC Name1-amino-3-[di(propan-2-yl)amino]thiourea
SMILESCC(C)N(NC(=S)NN)C(C)C
InChIInChI=1S/C7H18N4S/c1-5(2)11(6(3)4)10-7(12)9-8/h5-6H,8H2,1-4H3,(H2,9,10,12)
InChIKeyBYROSCGFRFSRPF-UHFFFAOYSA-N
XLogP0.36
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N-dipropylthiosemicarbazone
CID 86251649
ethylaminothiourea;N-ethylethanamine
CID 23318743
[Di(propan-2-yl)amino]thiourea
CID 85705799
CID 173459381
CID 173459381
[Methyl(propan-2-yl)amino]thiourea
CID 177942299
1-Amino-3-(dipropylamino)thiourea
CID 55281697
1-Amino-3-(diethylamino)thiourea
CID 173459382

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[di(propan-2-yl)amino]thiourea?
The IUPAC name of 1-amino-3-[di(propan-2-yl)amino]thiourea (CID 55281778) is 1-amino-3-[di(propan-2-yl)amino]thiourea.
What is the SMILES notation for 1-amino-3-[di(propan-2-yl)amino]thiourea?
The canonical SMILES for 1-amino-3-[di(propan-2-yl)amino]thiourea is CC(C)N(NC(=S)NN)C(C)C.
What is the InChIKey of 1-amino-3-[di(propan-2-yl)amino]thiourea?
The InChIKey is BYROSCGFRFSRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4S/c1-5(2)11(6(3)4)10-7(12)9-8/h5-6H,8H2,1-4H3,(H2,9,10,12).
What are the key properties of 1-amino-3-[di(propan-2-yl)amino]thiourea?
1-amino-3-[di(propan-2-yl)amino]thiourea has a molecular weight of 190.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[di(propan-2-yl)amino]thiourea is sourced from PubChem (CID 55281778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).