ethane;1-(ethylamino)-3-methylthiourea

C6H17N3S — CID 142205741

IUPACethane;1-(ethylamino)-3-methylthiourea
SMILESCC.CCNNC(=S)NC
InChIInChI=1S/C4H11N3S.C2H6/c1-3-6-7-4(8)5-2;1-2/h6H,3H2,1-2H3,(H2,5,7,8);1-2H3
InChIKeyICCYYNORROQNMK-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.63
Rot. Bonds2

About ethane;1-(ethylamino)-3-methylthiourea

ethane;1-(ethylamino)-3-methylthiourea (PubChem CID 142205741) has the molecular formula C6H17N3S and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;1-(ethylamino)-3-methylthiourea.

Molecular Properties

Compound Nameethane;1-(ethylamino)-3-methylthiourea
PubChem CID142205741
Molecular FormulaC6H17N3S
Molecular Weight163.29 g/mol
Exact Mass163.11
IUPAC Nameethane;1-(ethylamino)-3-methylthiourea
SMILESCC.CCNNC(=S)NC
InChIInChI=1S/C4H11N3S.C2H6/c1-3-6-7-4(8)5-2;1-2/h6H,3H2,1-2H3,(H2,5,7,8);1-2H3
InChIKeyICCYYNORROQNMK-UHFFFAOYSA-N
XLogP0.63
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethylamino)-3-methylthiourea?
The IUPAC name of ethane;1-(ethylamino)-3-methylthiourea (CID 142205741) is ethane;1-(ethylamino)-3-methylthiourea.
What is the SMILES notation for ethane;1-(ethylamino)-3-methylthiourea?
The canonical SMILES for ethane;1-(ethylamino)-3-methylthiourea is CC.CCNNC(=S)NC.
What is the InChIKey of ethane;1-(ethylamino)-3-methylthiourea?
The InChIKey is ICCYYNORROQNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S.C2H6/c1-3-6-7-4(8)5-2;1-2/h6H,3H2,1-2H3,(H2,5,7,8);1-2H3.
What are the key properties of ethane;1-(ethylamino)-3-methylthiourea?
ethane;1-(ethylamino)-3-methylthiourea has a molecular weight of 163.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethylamino)-3-methylthiourea is sourced from PubChem (CID 142205741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).