1-benzyl-3-(ethylideneamino)thiourea

C10H13N3S — CID 171138414

IUPAC1-benzyl-3-(ethylideneamino)thiourea
SMILESCC=NNC(=S)NCc1ccccc1
InChIInChI=1S/C10H13N3S/c1-2-12-13-10(14)11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H2,11,13,14)
InChIKeyUKYYZYRZZFNBEU-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.66
Rot. Bonds3

About 1-benzyl-3-(ethylideneamino)thiourea

1-benzyl-3-(ethylideneamino)thiourea (PubChem CID 171138414) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-benzyl-3-(ethylideneamino)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(ethylideneamino)thiourea
PubChem CID171138414
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-benzyl-3-(ethylideneamino)thiourea
SMILESCC=NNC(=S)NCc1ccccc1
InChIInChI=1S/C10H13N3S/c1-2-12-13-10(14)11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H2,11,13,14)
InChIKeyUKYYZYRZZFNBEU-UHFFFAOYSA-N
XLogP1.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-benzyl-3-[(E)-[(E)-hex-2-enylidene]amino]thiourea
CID 139218421
1-benzyl-3-[(E)-(2,6-dichlorophenyl)methylideneamino]thiourea
CID 110337009
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5410280
1-benzyl-3-[(4-ethoxyphenyl)methylideneamino]thiourea
CID 4593913
1-[(E)-ethylideneamino]-3-phenylthiourea
CID 12593777
1-benzyl-3-[(3-methoxyphenyl)methylideneamino]thiourea
CID 3394811
1-benzyl-3-[(2,4-dihydroxyphenyl)methylideneamino]thiourea
CID 3445356
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(ethylideneamino)thiourea?
The IUPAC name of 1-benzyl-3-(ethylideneamino)thiourea (CID 171138414) is 1-benzyl-3-(ethylideneamino)thiourea.
What is the SMILES notation for 1-benzyl-3-(ethylideneamino)thiourea?
The canonical SMILES for 1-benzyl-3-(ethylideneamino)thiourea is CC=NNC(=S)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(ethylideneamino)thiourea?
The InChIKey is UKYYZYRZZFNBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-12-13-10(14)11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H2,11,13,14).
What are the key properties of 1-benzyl-3-(ethylideneamino)thiourea?
1-benzyl-3-(ethylideneamino)thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(ethylideneamino)thiourea is sourced from PubChem (CID 171138414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).