1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea

C11H15ClN2OS — CID 7303154

IUPAC1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea
SMILESCC[C@H](CO)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2OS/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyHBGHGTYPAOYDSU-SECBINFHSA-N
MW258.77 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea

1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea (PubChem CID 7303154) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea
PubChem CID7303154
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea
SMILESCC[C@H](CO)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2OS/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyHBGHGTYPAOYDSU-SECBINFHSA-N
XLogP2.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-pentan-3-ylthiourea
CID 8669297
1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624683
1-[(2R)-1-hydroxybutan-2-yl]-3-(4-nitrophenyl)thiourea
CID 8624708
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-1-hydroxybutan-2-yl]thiourea
CID 8624694
4-chloro-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162132
2-[(4-chlorophenyl)carbamothioylamino]propanoic acid
CID 87649515
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-hexan-3-yl-3-phenylthiourea
CID 115596471
1-[2-[(2S)-butan-2-yl]phenyl]-3-(4-chlorophenyl)thiourea
CID 40636973
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-chlorophenyl)thiourea
CID 40636964
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea (CID 7303154) is 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea is CC[C@H](CO)NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea?
The InChIKey is HBGHGTYPAOYDSU-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea?
1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea has a molecular weight of 258.77 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]thiourea is sourced from PubChem (CID 7303154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).