Butyl-2-thiourea

CAT: 0127-OR1021996-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1021996-01Size:5 g

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CAS Number

1516-32-1

Purity

98%

Smiles

CCCCNC(=S)N

Chemical Information

Butylthiourea

CAS Number	1516-32-1
PubChem CID	1551919
IUPAC Name	butylthiourea
Molecular Formula	C5H12N2S
Molecular Weight	132.23
XLogP	1
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CCCCNC(=S)N

InChI

InChI=1S/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

InChIKey

GMEGXJPUFRVCPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1516-32-1

CID: 1551919

Formula: C5H12N2S

MW: 132.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.23
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	132.07211956
Monoisotopic Mass	132.07211956
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1020984	1-Butyl-3-phenyl-2-thiourea
OR30207	N- (tert-Butyl) thiourea
BUP23336-01	N-butyl-N''- (2,4-difluorophenyl) thiourea
OR30185-01	N, N'-di (tert-butyl) thiourea
BUP23337-01	1-Butyl-3- (3-methoxyphenyl) thiourea
BUP23335-01	Thiourea, N-butyl-N'- (4-fluorophenyl) -
PC106096	(2,2,2-Trifluoroethyl) thiourea
BIT4110-01	Thiourea
OR1616-01	1-Allyl-2-thiourea
OR1053902-01	1- (2-Hydroxyethyl) thiourea

Catalog	Name
sc-258848A	1-tert-Butyl-2-thiourea
sc-280081	Sec-Butyl-thiourea
sc-280221	1-Butyl-3-phenyl-2-thiourea
sc-276332	(3-Methyl-butyl) -thiourea
HY-167919	1- (1-Adamantyl) -3-butyl-2-thiourea
GTR19251748-01	N-butyl-N''- (2,4-difluorophenyl) thiourea
sc-349730	(4-sec-Butyl-phenyl) -thiourea
AQ A4 0036-01	1-tert-butyl-3- (4-tert-butyl-2-methylphenyl) thiourea
CCA59924-01	3-tert-Butyl-1- (propan-2-yl) thiourea
TRC-B490823-750MG	3-tert-Butyl-1-(propan-2-yl)thiourea