(butylcarbamothioylamino)urea

C6H14N4OS — CID 15496674

IUPAC(butylcarbamothioylamino)urea
SMILESCCCCNC(=S)NNC(N)=O
InChIInChI=1S/C6H14N4OS/c1-2-3-4-8-6(12)10-9-5(7)11/h2-4H2,1H3,(H3,7,9,11)(H2,8,10,12)
InChIKeyGHSQVXHFQJQDKY-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.17
Rot. Bonds3

About (butylcarbamothioylamino)urea

(butylcarbamothioylamino)urea (PubChem CID 15496674) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is (butylcarbamothioylamino)urea.

Molecular Properties

Compound Name(butylcarbamothioylamino)urea
PubChem CID15496674
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC Name(butylcarbamothioylamino)urea
SMILESCCCCNC(=S)NNC(N)=O
InChIInChI=1S/C6H14N4OS/c1-2-3-4-8-6(12)10-9-5(7)11/h2-4H2,1H3,(H3,7,9,11)(H2,8,10,12)
InChIKeyGHSQVXHFQJQDKY-UHFFFAOYSA-N
XLogP-0.17
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-Amino-1-butylthiourea
CID 1810303
2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
ST50846134
CID 4026713
(Ethylcarbamothioylamino)urea
CID 3981044
2-acetyl-N-propylhydrazinecarbothioamide
CID 17370768
2-(Pentylcarbamothioyl)hydrazine-1-carboxamide
CID 3705847
N-butylhydrazine-1,2-dicarbothioamide
CID 12421602
N-butyl-2-carbamothioylhydrazinecarboxamide
CID 91691197
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
1-Acetamido-3-butylthiourea
CID 15917368
1-Butyl-3-(methylamino)thiourea
CID 53765969
1-Methyl-3-(pyrrolidine-1-carbothioylamino)urea
CID 5107869

Frequently Asked Questions

What is the IUPAC name of (butylcarbamothioylamino)urea?
The IUPAC name of (butylcarbamothioylamino)urea (CID 15496674) is (butylcarbamothioylamino)urea.
What is the SMILES notation for (butylcarbamothioylamino)urea?
The canonical SMILES for (butylcarbamothioylamino)urea is CCCCNC(=S)NNC(N)=O.
What is the InChIKey of (butylcarbamothioylamino)urea?
The InChIKey is GHSQVXHFQJQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-2-3-4-8-6(12)10-9-5(7)11/h2-4H2,1H3,(H3,7,9,11)(H2,8,10,12).
What are the key properties of (butylcarbamothioylamino)urea?
(butylcarbamothioylamino)urea has a molecular weight of 190.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (butylcarbamothioylamino)urea is sourced from PubChem (CID 15496674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).