hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate

C8H10N4O2S2 — CID 57192203

IUPAChydrazinylmethyl N-(3-nitrophenyl)carbamodithioate
SMILESNNCSC(=S)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N4O2S2/c9-10-5-16-8(15)11-6-2-1-3-7(4-6)12(13)14/h1-4,10H,5,9H2,(H,11,15)
InChIKeyRWWPAUQFBMIZFH-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.45
Rot. Bonds4

About hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate

hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate (PubChem CID 57192203) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate.

Molecular Properties

Compound Namehydrazinylmethyl N-(3-nitrophenyl)carbamodithioate
PubChem CID57192203
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Namehydrazinylmethyl N-(3-nitrophenyl)carbamodithioate
SMILESNNCSC(=S)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N4O2S2/c9-10-5-16-8(15)11-6-2-1-3-7(4-6)12(13)14/h1-4,10H,5,9H2,(H,11,15)
InChIKeyRWWPAUQFBMIZFH-UHFFFAOYSA-N
XLogP1.45
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
1-(4-fluorophenyl)-3-(3-nitrophenyl)thiourea
CID 832896
ethyl N-[(3-nitrophenyl)carbamothioyl]carbamate
CID 134110152
1-(3,4-dichlorophenyl)-3-(3-nitrophenyl)thiourea
CID 2200080
2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide
CID 2938636
propyl N-(3-nitrophenyl)carbamate
CID 522989
1-(3,5-dichloro-4-hydroxyphenyl)-3-(3-nitrophenyl)thiourea
CID 17380427
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511

Frequently Asked Questions

What is the IUPAC name of hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate?
The IUPAC name of hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate (CID 57192203) is hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate.
What is the SMILES notation for hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate?
The canonical SMILES for hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate is NNCSC(=S)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate?
The InChIKey is RWWPAUQFBMIZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c9-10-5-16-8(15)11-6-2-1-3-7(4-6)12(13)14/h1-4,10H,5,9H2,(H,11,15).
What are the key properties of hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate?
hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate has a molecular weight of 258.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinylmethyl N-(3-nitrophenyl)carbamodithioate is sourced from PubChem (CID 57192203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).