benzenecarbothiohydrazide

C7H8N2S — CID 3361911

IUPACbenzenecarbothiohydrazide
SMILESNNC(=S)c1ccccc1
InChIInChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKeyPNALOBAQBMAHBZ-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.83
Rot. Bonds1

About benzenecarbothiohydrazide

benzenecarbothiohydrazide (PubChem CID 3361911) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is benzenecarbothiohydrazide.

Molecular Properties

Compound Namebenzenecarbothiohydrazide
PubChem CID3361911
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Namebenzenecarbothiohydrazide
SMILESNNC(=S)c1ccccc1
InChIInChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKeyPNALOBAQBMAHBZ-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.83
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'}

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Related Compounds

Thiobenzamide
CID 683563
Benzylhydrazine dihydrochloride
CID 146540
(Phenylmethyl)hydrazine
CID 11157
1-Methyl-2-benzylhydrazine
CID 25142
Hydrazine, (phenylmethyl)-, hydrochloride (1:1)
CID 14084
4-Fluorothiobenzamide
CID 737223
4-Methylbenzenecarbothioamide
CID 737209
3-Fluorothiobenzamide
CID 2782800
Benzenecarbothioamide, S-oxide
CID 99495
N-Benzyl-N''-prop-2-ynyl-hydrazine
CID 44324589
Hydrazine, 1-benzyl-1-methyl-, hydrochloride
CID 213362
N-methylbenzothiohydrazide
CID 12206211

Frequently Asked Questions

What is the IUPAC name of benzenecarbothiohydrazide?
The IUPAC name of benzenecarbothiohydrazide (CID 3361911) is benzenecarbothiohydrazide.
What is the SMILES notation for benzenecarbothiohydrazide?
The canonical SMILES for benzenecarbothiohydrazide is NNC(=S)c1ccccc1.
What is the InChIKey of benzenecarbothiohydrazide?
The InChIKey is PNALOBAQBMAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10).
What are the key properties of benzenecarbothiohydrazide?
benzenecarbothiohydrazide has a molecular weight of 152.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarbothiohydrazide is sourced from PubChem (CID 3361911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).