1-benzyl-1-(furan-3-ylmethyl)thiourea

C13H14N2OS — CID 87836893

IUPAC1-benzyl-1-(furan-3-ylmethyl)thiourea
SMILESNC(=S)N(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C13H14N2OS/c14-13(17)15(9-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,17)
InChIKeyKGWXXVOLQODPBB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.53
Rot. Bonds4

About 1-benzyl-1-(furan-3-ylmethyl)thiourea

1-benzyl-1-(furan-3-ylmethyl)thiourea (PubChem CID 87836893) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-benzyl-1-(furan-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-benzyl-1-(furan-3-ylmethyl)thiourea
PubChem CID87836893
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-benzyl-1-(furan-3-ylmethyl)thiourea
SMILESNC(=S)N(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C13H14N2OS/c14-13(17)15(9-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,17)
InChIKeyKGWXXVOLQODPBB-UHFFFAOYSA-N
XLogP2.53
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dibenzylthiourea
CID 3517261
2-[[furan-3-ylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61422594
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
bis(N,N-dibenzylcarbamodithioate);zinc
CID 4641127
tris(N,N-dibenzylcarbamodithioate);lanthanum(3+)
CID 164580455
1-benzyl-1-sulfanylthiourea;hydrochloride
CID 174993681
CID 175899509
CID 175899509
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
3,5-difluoro-4-[furan-3-ylmethyl(methyl)amino]benzenecarbothioamide
CID 81286641
O-(dibenzylamino) carbamothioate
CID 175100548
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(furan-3-ylmethyl)thiourea?
The IUPAC name of 1-benzyl-1-(furan-3-ylmethyl)thiourea (CID 87836893) is 1-benzyl-1-(furan-3-ylmethyl)thiourea.
What is the SMILES notation for 1-benzyl-1-(furan-3-ylmethyl)thiourea?
The canonical SMILES for 1-benzyl-1-(furan-3-ylmethyl)thiourea is NC(=S)N(Cc1ccccc1)Cc1ccoc1.
What is the InChIKey of 1-benzyl-1-(furan-3-ylmethyl)thiourea?
The InChIKey is KGWXXVOLQODPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-13(17)15(9-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,17).
What are the key properties of 1-benzyl-1-(furan-3-ylmethyl)thiourea?
1-benzyl-1-(furan-3-ylmethyl)thiourea has a molecular weight of 246.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(furan-3-ylmethyl)thiourea is sourced from PubChem (CID 87836893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).