1-(furan-2-ylmethyl)-1-sulfanylurea

C6H8N2O2S — CID 57212509

IUPAC1-(furan-2-ylmethyl)-1-sulfanylurea
SMILESNC(=O)N(S)Cc1ccco1
InChIInChI=1S/C6H8N2O2S/c7-6(9)8(11)4-5-2-1-3-10-5/h1-3,11H,4H2,(H2,7,9)
InChIKeyTUBCWEXFBYKHLA-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.01
Rot. Bonds2

About 1-(furan-2-ylmethyl)-1-sulfanylurea

1-(furan-2-ylmethyl)-1-sulfanylurea (PubChem CID 57212509) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-sulfanylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-sulfanylurea
PubChem CID57212509
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name1-(furan-2-ylmethyl)-1-sulfanylurea
SMILESNC(=O)N(S)Cc1ccco1
InChIInChI=1S/C6H8N2O2S/c7-6(9)8(11)4-5-2-1-3-10-5/h1-3,11H,4H2,(H2,7,9)
InChIKeyTUBCWEXFBYKHLA-UHFFFAOYSA-N
XLogP1.01
TPSA59.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
CID 66338395
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
CID 18126981
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 60947093
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-sulfanylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-sulfanylurea (CID 57212509) is 1-(furan-2-ylmethyl)-1-sulfanylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-sulfanylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-sulfanylurea is NC(=O)N(S)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-sulfanylurea?
The InChIKey is TUBCWEXFBYKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-6(9)8(11)4-5-2-1-3-10-5/h1-3,11H,4H2,(H2,7,9).
What are the key properties of 1-(furan-2-ylmethyl)-1-sulfanylurea?
1-(furan-2-ylmethyl)-1-sulfanylurea has a molecular weight of 172.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-sulfanylurea is sourced from PubChem (CID 57212509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).