1,1-bis(ethylamino)thiourea

C5H14N4S — CID 174677956

IUPAC1,1-bis(ethylamino)thiourea
SMILESCCNN(NCC)C(N)=S
InChIInChI=1S/C5H14N4S/c1-3-7-9(5(6)10)8-4-2/h7-8H,3-4H2,1-2H3,(H2,6,10)
InChIKeyCFCBDEMGBVYQDO-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.42
Rot. Bonds4

About 1,1-bis(ethylamino)thiourea

1,1-bis(ethylamino)thiourea (PubChem CID 174677956) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 1,1-bis(ethylamino)thiourea.

Molecular Properties

Compound Name1,1-bis(ethylamino)thiourea
PubChem CID174677956
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name1,1-bis(ethylamino)thiourea
SMILESCCNN(NCC)C(N)=S
InChIInChI=1S/C5H14N4S/c1-3-7-9(5(6)10)8-4-2/h7-8H,3-4H2,1-2H3,(H2,6,10)
InChIKeyCFCBDEMGBVYQDO-UHFFFAOYSA-N
XLogP-0.42
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
Butylthiosemicarbazide
CID 23054747
N-isopropylthiosemicarbazone
CID 55288596
Ethane-1,2-dithiosemicarbazide
CID 138478536
ST51003339
CID 5062205
1-Isopropylthiocarbohydrazide
CID 15647642
ethylaminothiourea;N-methylmethanamine
CID 23318727
1-(Ethylamino)-1-methylthiourea
CID 55290296
(Butan-2-ylamino)thiourea
CID 55290297
(2-Methylpropylamino)thiourea
CID 55290300
1-N',1-N'-bis(methylamino)ethane-1,1-diamine
CID 88179469

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethylamino)thiourea?
The IUPAC name of 1,1-bis(ethylamino)thiourea (CID 174677956) is 1,1-bis(ethylamino)thiourea.
What is the SMILES notation for 1,1-bis(ethylamino)thiourea?
The canonical SMILES for 1,1-bis(ethylamino)thiourea is CCNN(NCC)C(N)=S.
What is the InChIKey of 1,1-bis(ethylamino)thiourea?
The InChIKey is CFCBDEMGBVYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c1-3-7-9(5(6)10)8-4-2/h7-8H,3-4H2,1-2H3,(H2,6,10).
What are the key properties of 1,1-bis(ethylamino)thiourea?
1,1-bis(ethylamino)thiourea has a molecular weight of 162.26 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethylamino)thiourea is sourced from PubChem (CID 174677956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).