2-diazenylethanethioamide

C2H5N3S — CID 21113575

IUPAC2-diazenylethanethioamide
SMILES[H]/N=N/CC(N)=S
InChIInChI=1S/C2H5N3S/c3-2(6)1-5-4/h4H,1H2,(H2,3,6)/b5-4+
InChIKeyKFVJMDRRZAPOGW-SNAWJCMRSA-N
MW103.15 g/mol
LogP0.30
Rot. Bonds2

About 2-diazenylethanethioamide

2-diazenylethanethioamide (PubChem CID 21113575) has the molecular formula C2H5N3S and a molecular weight of 103.15 g/mol. Its IUPAC name is 2-diazenylethanethioamide.

Molecular Properties

Compound Name2-diazenylethanethioamide
PubChem CID21113575
Molecular FormulaC2H5N3S
Molecular Weight103.15 g/mol
Exact Mass103.02
IUPAC Name2-diazenylethanethioamide
SMILES[H]/N=N/CC(N)=S
InChIInChI=1S/C2H5N3S/c3-2(6)1-5-4/h4H,1H2,(H2,3,6)/b5-4+
InChIKeyKFVJMDRRZAPOGW-SNAWJCMRSA-N
XLogP0.30
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-diazenylethanethioic S-acid
CID 87476873
propan-2-yl 2-diazenylacetate
CID 130320226
1,3-diiminothiourea
CID 23135884
1-diazenylheptan-2-one
CID 56977189
1-carbamimidoyl-1-[carbamimidoyl(carbamothioyl)amino]thiourea
CID 57003636
diazenyl-(sulfinoamino)methane
CID 57233993
2-diazenylsulfanylacetamide
CID 174451264
butanediimidamide;dihydrochloride
CID 88614640
(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide
CID 168898527
diazenylmethanesulfinic acid
CID 22465823
pent-2-enimidamide
CID 74821450
diphenylmethanone;ethyl 2-diazenylacetate
CID 174411163

Frequently Asked Questions

What is the IUPAC name of 2-diazenylethanethioamide?
The IUPAC name of 2-diazenylethanethioamide (CID 21113575) is 2-diazenylethanethioamide.
What is the SMILES notation for 2-diazenylethanethioamide?
The canonical SMILES for 2-diazenylethanethioamide is [H]/N=N/CC(N)=S.
What is the InChIKey of 2-diazenylethanethioamide?
The InChIKey is KFVJMDRRZAPOGW-SNAWJCMRSA-N. The full InChI is InChI=1S/C2H5N3S/c3-2(6)1-5-4/h4H,1H2,(H2,3,6)/b5-4+.
What are the key properties of 2-diazenylethanethioamide?
2-diazenylethanethioamide has a molecular weight of 103.15 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylethanethioamide is sourced from PubChem (CID 21113575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).