4-Amino-6-chloro-2-methylthiopyrimidine

HCID 70496
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Basic information

CAS
1005-38-5
Standard SMILES
CSc1nc(N)cc(Cl)n1
InChIKey
ISUXMAHVLFRZQU-UHFFFAOYSA-N
Molecular formula
C5H6ClN3S
Average molar mass
175.64 g/mol
Monoisotopic mass
174.9970961

Names & identifiers

Preferred name
4-Amino-6-chloro-2-methylthiopyrimidine
IUPAC
6-chloro-2-methylsulfanylpyrimidin-4-amine
English name
4-Amino-6-chloro-2-(methylthio)pyrimidine
Molecular formula
C5H6ClN3S
Molecular weight
175.64

Names & synonyms

4-Pyrimidinamine, 6-chloro-2-(methylthio)-4-Amino-6-chloro-2-methylthiopyrimidine6-Chloro-2-methylthiopyrimidin-4-ylamineP8SND49KYKEINECS 213-734-3NSC-19859DTXSID60143346U-8342NSC 198594-amino-6-chloro-2-methylsulfanylpyrimidine6-CHLORO-2-(METHYLTHIO)-4-PYRIMIDINAMINERefChem:517991
Show more names
U 8342TIMTEC-BB SBB0037861-[butoxy(phenyl)methyl]piperidine6-Chloro-2-methylthio-4-pyrimidinamine2-(Methylthio)-6-chloropyrimidine-4-amine6-AMINO-4-CHLORO-2-METHYLMERCAPTOPYRIMIDINE
DTXCID7065837213-734-31005-38-54-Amino-6-chloro-2-(methylthio)pyrimidine4-Amino-6-chloro-2-methylmercaptopyrimidine6-chloro-2-(methylsulfanyl)pyrimidin-4-amine6-Chloro-2-(methylthio)pyrimidin-4-amine6-chloro-2-methylsulfanylpyrimidin-4-amine

Database identifiers

CAS
1005-38-5
PubChem CID
70496
DTXSID
DTXSID60143346
UNII
P8SND49KYK
EC Number
213-734-3
Nikkaji
J124.123K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
130 · 130-132 °C (lit.)
Boiling point
338.7 · 338.7±22.0 °C(Predicted)
Density
1.395 · 1.395 (estimate)
refractive index
1.61 · 1.6100 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

wgk
3
hs_code
29335990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses4-Amino-6-chloro-2-(methylthio)pyrimidine is a halogenated heterocycle, a useful synthesis intermediate.

Uses4-Amino-6-chloro-2-(methylthio)pyrimidine is a halogenated heterocycle, a useful synthesis intermediate.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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