[amino(ethyl)carbamothioyl]azanium bromide

C3H10BrN3S — CID 158437148

IUPAC[amino(ethyl)carbamothioyl]azanium bromide
SMILESCCN(N)C([NH3+])=S.[Br-]
InChIInChI=1S/C3H9N3S.BrH/c1-2-6(5)3(4)7;/h2,5H2,1H3,(H2,4,7);1H
InChIKeyHCJFXXBOICGDQV-UHFFFAOYSA-N
MW200.10 g/mol
LogP-4.29
Rot. Bonds1

About [amino(ethyl)carbamothioyl]azanium bromide

[amino(ethyl)carbamothioyl]azanium bromide (PubChem CID 158437148) has the molecular formula C3H10BrN3S and a molecular weight of 200.10 g/mol. Its IUPAC name is [amino(ethyl)carbamothioyl]azanium bromide.

Molecular Properties

Compound Name[amino(ethyl)carbamothioyl]azanium bromide
PubChem CID158437148
Molecular FormulaC3H10BrN3S
Molecular Weight200.10 g/mol
Exact Mass198.98
IUPAC Name[amino(ethyl)carbamothioyl]azanium bromide
SMILESCCN(N)C([NH3+])=S.[Br-]
InChIInChI=1S/C3H9N3S.BrH/c1-2-6(5)3(4)7;/h2,5H2,1H3,(H2,4,7);1H
InChIKeyHCJFXXBOICGDQV-UHFFFAOYSA-N
XLogP-4.29
TPSA56.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-4.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [amino(ethyl)carbamothioyl]azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethylhydrazine-1-carbothioamide
CID 13741852
Amino-isopropylisothiourea
CID 20847906
Amino-ethylisothiourea dihydrobromide
CID 129717330
Amino-ethylthiuronium bromide
CID 129723122
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-Ethyl-1-(methylamino)thiourea;hydrochloride
CID 87435887
1,3-Diamino-1-ethylthiourea
CID 88152383
1-Ethyl-1-(ethylamino)thiourea
CID 159138018
1-(Dimethylamino)-1-ethylthiourea;hydrochloride
CID 174359954
1-(Carbamothioylamino)-1-ethylthiourea
CID 174746533
Amino-carbamothioyl-diethylazanium
CID 21160599

Frequently Asked Questions

What is the IUPAC name of [amino(ethyl)carbamothioyl]azanium bromide?
The IUPAC name of [amino(ethyl)carbamothioyl]azanium bromide (CID 158437148) is [amino(ethyl)carbamothioyl]azanium bromide.
What is the SMILES notation for [amino(ethyl)carbamothioyl]azanium bromide?
The canonical SMILES for [amino(ethyl)carbamothioyl]azanium bromide is CCN(N)C([NH3+])=S.[Br-].
What is the InChIKey of [amino(ethyl)carbamothioyl]azanium bromide?
The InChIKey is HCJFXXBOICGDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S.BrH/c1-2-6(5)3(4)7;/h2,5H2,1H3,(H2,4,7);1H.
What are the key properties of [amino(ethyl)carbamothioyl]azanium bromide?
[amino(ethyl)carbamothioyl]azanium bromide has a molecular weight of 200.10 g/mol, XLogP of -4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethyl)carbamothioyl]azanium bromide is sourced from PubChem (CID 158437148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).