1-amino-3-[(Z)-benzylideneamino]thiourea

C8H10N4S — CID 6082956

IUPAC1-amino-3-[(Z)-benzylideneamino]thiourea
SMILESNNC(=S)N/N=C\c1ccccc1
InChIInChI=1S/C8H10N4S/c9-11-8(13)12-10-6-7-4-2-1-3-5-7/h1-6H,9H2,(H2,11,12,13)/b10-6-
InChIKeyIZAXVUNREMHNOM-POHAHGRESA-N
MW194.26 g/mol
LogP0.36
Rot. Bonds2

About 1-amino-3-[(Z)-benzylideneamino]thiourea

1-amino-3-[(Z)-benzylideneamino]thiourea (PubChem CID 6082956) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-amino-3-[(Z)-benzylideneamino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(Z)-benzylideneamino]thiourea
PubChem CID6082956
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-amino-3-[(Z)-benzylideneamino]thiourea
SMILESNNC(=S)N/N=C\c1ccccc1
InChIInChI=1S/C8H10N4S/c9-11-8(13)12-10-6-7-4-2-1-3-5-7/h1-6H,9H2,(H2,11,12,13)/b10-6-
InChIKeyIZAXVUNREMHNOM-POHAHGRESA-N
XLogP0.36
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

1-[(E)-benzylideneamino]-3-hydroxythiourea
CID 16729007
1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 55280342
1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 14690561
1-amino-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 2728543
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
[3-[(aminocarbamothioylhydrazinylidene)methyl]phenyl] 2-phenylacetate
CID 175038054
[(E)-benzylideneamino]urea
CID 6861419
3-[(E)-benzylideneamino]-1,1-dimethylthiourea
CID 13297422
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
1-[(E)-benzylideneamino]-3-(2-methylbutan-2-yl)thiourea
CID 131990785
copper;bis(methyl N-(benzylideneamino)carbamodithioate)
CID 50910613
O-benzyl N-(benzylideneamino)carbamothioate
CID 154153240

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(Z)-benzylideneamino]thiourea?
The IUPAC name of 1-amino-3-[(Z)-benzylideneamino]thiourea (CID 6082956) is 1-amino-3-[(Z)-benzylideneamino]thiourea.
What is the SMILES notation for 1-amino-3-[(Z)-benzylideneamino]thiourea?
The canonical SMILES for 1-amino-3-[(Z)-benzylideneamino]thiourea is NNC(=S)N/N=C\c1ccccc1.
What is the InChIKey of 1-amino-3-[(Z)-benzylideneamino]thiourea?
The InChIKey is IZAXVUNREMHNOM-POHAHGRESA-N. The full InChI is InChI=1S/C8H10N4S/c9-11-8(13)12-10-6-7-4-2-1-3-5-7/h1-6H,9H2,(H2,11,12,13)/b10-6-.
What are the key properties of 1-amino-3-[(Z)-benzylideneamino]thiourea?
1-amino-3-[(Z)-benzylideneamino]thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(Z)-benzylideneamino]thiourea is sourced from PubChem (CID 6082956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).