1-tert-butyl-3-(ethylamino)thiourea

C7H17N3S — CID 130711066

IUPAC1-tert-butyl-3-(ethylamino)thiourea
SMILESCCNNC(=S)NC(C)(C)C
InChIInChI=1S/C7H17N3S/c1-5-8-10-6(11)9-7(2,3)4/h8H,5H2,1-4H3,(H2,9,10,11)
InChIKeyRGKLKCKTEZMZSG-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.77
Rot. Bonds2

About 1-tert-butyl-3-(ethylamino)thiourea

1-tert-butyl-3-(ethylamino)thiourea (PubChem CID 130711066) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(ethylamino)thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-(ethylamino)thiourea
PubChem CID130711066
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name1-tert-butyl-3-(ethylamino)thiourea
SMILESCCNNC(=S)NC(C)(C)C
InChIInChI=1S/C7H17N3S/c1-5-8-10-6(11)9-7(2,3)4/h8H,5H2,1-4H3,(H2,9,10,11)
InChIKeyRGKLKCKTEZMZSG-UHFFFAOYSA-N
XLogP0.77
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)hydrazinecarbothioamide
CID 737275
4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-(Tert-butylamino)-3-methylthiourea
CID 129909900
1-Ethyl-3-(ethylamino)thiourea
CID 20526150
1-(Tert-butylamino)-3-[2-(propan-2-yldiazenyl)propan-2-yl]thiourea
CID 21387010
1-Methyl-3-(propan-2-ylamino)thiourea
CID 55286062
1-Methyl-3-(propylamino)thiourea
CID 55286481
1-Propan-2-yl-3-(propan-2-ylamino)thiourea
CID 57863360
1-Ethyl-3-(propan-2-ylamino)thiourea
CID 57863374
1-Amino-3-(1-amino-2-methylpropan-2-yl)thiourea
CID 88758192
1-Methyl-3-(2-methylpropylamino)thiourea
CID 129929976
1-Methyl-3-(pentan-3-ylamino)thiourea
CID 129930760

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(ethylamino)thiourea?
The IUPAC name of 1-tert-butyl-3-(ethylamino)thiourea (CID 130711066) is 1-tert-butyl-3-(ethylamino)thiourea.
What is the SMILES notation for 1-tert-butyl-3-(ethylamino)thiourea?
The canonical SMILES for 1-tert-butyl-3-(ethylamino)thiourea is CCNNC(=S)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(ethylamino)thiourea?
The InChIKey is RGKLKCKTEZMZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-5-8-10-6(11)9-7(2,3)4/h8H,5H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-tert-butyl-3-(ethylamino)thiourea?
1-tert-butyl-3-(ethylamino)thiourea has a molecular weight of 175.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(ethylamino)thiourea is sourced from PubChem (CID 130711066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).