(3,5-difluoro-2-methylphenyl)thiourea

C8H8F2N2S — CID 169359533

IUPAC(3,5-difluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cc(F)cc1NC(N)=S
InChIInChI=1S/C8H8F2N2S/c1-4-6(10)2-5(9)3-7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyPLGBNRWXOXKFFC-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.93
Rot. Bonds1

About (3,5-difluoro-2-methylphenyl)thiourea

(3,5-difluoro-2-methylphenyl)thiourea (PubChem CID 169359533) has the molecular formula C8H8F2N2S and a molecular weight of 202.23 g/mol. Its IUPAC name is (3,5-difluoro-2-methylphenyl)thiourea.

Molecular Properties

Compound Name(3,5-difluoro-2-methylphenyl)thiourea
PubChem CID169359533
Molecular FormulaC8H8F2N2S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name(3,5-difluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cc(F)cc1NC(N)=S
InChIInChI=1S/C8H8F2N2S/c1-4-6(10)2-5(9)3-7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyPLGBNRWXOXKFFC-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(4-fluoro-2-methoxy-3-methylphenyl)thiourea
CID 169357123
(2-fluoro-5-methoxy-4-methylphenyl)thiourea
CID 169358639
[2-chloro-5-fluoro-3-(trifluoromethyl)phenyl]thiourea
CID 169358029
(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
methyl 3-(carbamothioylamino)-6-fluoro-2-methylbenzoate
CID 169359380
(3-fluoro-4-methylphenyl)thiourea
CID 7131234
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
(4-fluoro-2-methyl-6-nitrophenyl)thiourea
CID 169356144
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
3,5-difluoro-2-methylphenol
CID 20580699
N-(2,3,5-trifluorophenyl)carbamothioyl chloride
CID 135379068

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-methylphenyl)thiourea?
The IUPAC name of (3,5-difluoro-2-methylphenyl)thiourea (CID 169359533) is (3,5-difluoro-2-methylphenyl)thiourea.
What is the SMILES notation for (3,5-difluoro-2-methylphenyl)thiourea?
The canonical SMILES for (3,5-difluoro-2-methylphenyl)thiourea is Cc1c(F)cc(F)cc1NC(N)=S.
What is the InChIKey of (3,5-difluoro-2-methylphenyl)thiourea?
The InChIKey is PLGBNRWXOXKFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2S/c1-4-6(10)2-5(9)3-7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13).
What are the key properties of (3,5-difluoro-2-methylphenyl)thiourea?
(3,5-difluoro-2-methylphenyl)thiourea has a molecular weight of 202.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-methylphenyl)thiourea is sourced from PubChem (CID 169359533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).