N-(ethylcarbamothioylamino)formamide

C4H9N3OS — CID 4026713

IUPACN-(ethylcarbamothioylamino)formamide
SMILESCCNC(=S)NNC=O
InChIInChI=1S/C4H9N3OS/c1-2-5-4(9)7-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyBLJFHNQORZOJQD-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.87
Rot. Bonds3

About N-(ethylcarbamothioylamino)formamide

N-(ethylcarbamothioylamino)formamide (PubChem CID 4026713) has the molecular formula C4H9N3OS and a molecular weight of 147.20 g/mol. Its IUPAC name is N-(ethylcarbamothioylamino)formamide.

Molecular Properties

Compound NameN-(ethylcarbamothioylamino)formamide
PubChem CID4026713
Molecular FormulaC4H9N3OS
Molecular Weight147.20 g/mol
Exact Mass147.05
IUPAC NameN-(ethylcarbamothioylamino)formamide
SMILESCCNC(=S)NNC=O
InChIInChI=1S/C4H9N3OS/c1-2-5-4(9)7-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyBLJFHNQORZOJQD-UHFFFAOYSA-N
XLogP-0.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
(Ethylcarbamothioylamino)urea
CID 3981044
(Butylcarbamothioylamino)urea
CID 15496674
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
2-acetyl-N-ethylhydrazinecarbothioamide
CID 4470590
methyl N-(ethylcarbamothioylamino)carbamate
CID 12421613
2-formyl-N-(2-methoxyethyl)hydrazinecarbothioamide
CID 17370911
N-cyclopropyl-2-formylhydrazine-1-carbothioamide
CID 17370912
N-(propylcarbamothioylamino)formamide
CID 85966507
1-(Carbamothioylamino)-3-ethylurea
CID 124253260
1-Ethyl-3-(methylcarbamothioylamino)urea
CID 129910319
1-(Methylcarbamothioylamino)-3-propylurea
CID 130725611

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamothioylamino)formamide?
The IUPAC name of N-(ethylcarbamothioylamino)formamide (CID 4026713) is N-(ethylcarbamothioylamino)formamide.
What is the SMILES notation for N-(ethylcarbamothioylamino)formamide?
The canonical SMILES for N-(ethylcarbamothioylamino)formamide is CCNC(=S)NNC=O.
What is the InChIKey of N-(ethylcarbamothioylamino)formamide?
The InChIKey is BLJFHNQORZOJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3OS/c1-2-5-4(9)7-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9).
What are the key properties of N-(ethylcarbamothioylamino)formamide?
N-(ethylcarbamothioylamino)formamide has a molecular weight of 147.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamothioylamino)formamide is sourced from PubChem (CID 4026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).